No. Publications
143

Discovery of Non-Covalent Inhibitors for SARS-CoV‑2 PLpro: Integrating Virtual Screening, Synthesis, and Experimental Validation

Authors:
Bruna K. P. Sousa, Melina Mottin, Donald Seanego, Christopher D. Jurisch, Beatriz S. A. Rodrigues,
Verônica L. S. da Silva, Milene Aparecida Andrade, Gilberto S. Morais Junior, Diogo F. Boerin,
Thamires Q. Froes, Flávia Nader Motta, M. Cristina Nonato, Izabela D. M. Bastos, Kelly Chibale,
Richard K. Gessner, and Carolina Horta Andrade

Published date: 2 Dec 2024
Journal: ACS Medicinal Chemistry Letters

142

Eliminating malaria transmission requires targeting immature and mature gametocytes through lipoidal uptake of antimalarials

Authors:
Mariska Naude, Ashleigh van Heerden, Janette Reader, Mariëtte van der Watt, Jandeli Niemand, Dorè Joubert, Giulia Siciliano, Pietro Alano, Mathew Njoroge, Kelly Chibale, Esperanza Herreros, Didier Leroy, Lyn-Marié Birkholtz

Published date: 15 Nov 2024
Journal: Nature communications

141

Another decade of antimalarial drug discovery: New targets, tools and molecules

Authors:
John G Woodland, André Horatscheck, Candice Soares de Melo, Godwin A Dziwornu, Dale Taylor

Published date: 6 Oct 2024
Journal: Progress in medicinal chemistry

140

Total Synthesis of Tosyl-Samroiyotmycin A and Its Biological Profiling

Authors:
Benedikt Kolb, Fabian Schmid, Jessica Weng, Luca Altevogt, Ruben Pereira Rebelo, Bianca Wank, Angelika Baro, Anna Zens, Aditya Shekhar, Ursula Bilitewski, Sibylle Sax, Sergio Wittlin, Dale Taylor, Rudolf Müller, Sabine Laschat

Published date: 30 Sept 2024
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

139

Aqueous phase adsorption of phenothiazine derivative onto zinc oxide doped activated carbon

Authors:
Clement O Obadimu, Solomon E Shaibu, Godwin N Enin, Ekemini B Ituen, Idongesit B Anweting, Uwem U Ubong, Ifiok O Ekwere, Saeed G Adewusi, Tijesu J Adeoye, Dele P Fapojuwo, Utibe A Ofon, Opeyemi K Fatunla, Nathaniel S Essien, Oluwatosin Y Audu, Zenixole R Tshentu, Simphiwe M Nelana, Michael J Klink, Olushola S Ayanda

Published date: 18 Sept 2024
Journal: Scientific reports

138

Author Correction: Antimalarial drug discovery: progress and approaches

Authors:
Jair L Siqueira-Neto, Kathryn J Wicht, Kelly Chibale, Jeremy N Burrows, David A Fidock, Elizabeth A Winzeler

Published date: 13 Sept 2024
Journal: Nature reviews. Drug discovery

137

Dose-fractionation studies of a Plasmodium phosphatidylinositol 4-kinase inhibitor in a humanized mouse model of malaria

Authors:
Liezl Gibhard, Mathew Njoroge, Mwila Mulubwa, Nina Lawrence, Dennis Smith, James Duffy, Claire Le Manach, Christel Brunschwig, Dale Taylor, Renier van der Westhuyzen, Leslie J Street, Gregory S Basarab, Kelly Chibale

Published date: 28 Aug 2024
Journal: Antimicrobial agents and chemotherapy

136

Model-Informed Approaches to Optimizing Therapeutics in the African Patient Populations

Authors:
Mwila Mulubwa, Kelly Chibale

Published date: 21 Aug 2024
Journal: Clinical pharmacology and therapeutics

135

The Tuberculosis Drug Candidate SQ109 and Its Analogs Have Multistage Activity against Plasmodium falciparum

Authors:
Savannah J Watson, Mariëtte E van der Watt, Anjo Theron, Janette Reader, Sizwe Tshabalala, Erica Erlank, Lizette L Koekemoer, Mariska Naude, Marianna Stampolaki, Feyisola Adewole, Katie Sadowska, Pilar Pérez-Lozano, Andreea L Turcu, Santiago Vázquez, Jihee Ko, Ben Mazurek, Davinder Singh, Satish R Malwal, Mathew Njoroge, Kelly Chibale, Oluseye K Onajole, Antonios Kolocouris, Eric Oldfield, Lyn-Marié Birkholtz

Published date: 14 Aug 2024
Journal: ACS infectious diseases

134

Interactions between Zoliflodacin and Neisseria gonorrhoeae Gyrase and Topoisomerase IV: Enzymological Basis for Cellular Targeting

Authors:
Jessica A Collins, Gregory S Basarab, Kelly Chibale, Neil Osheroff

Published date: 31 Jul 2024
Journal: ACS infectious diseases

133

Ongoing Implementation and Prospective Validation of Artificial Intelligence/Machine Learning Tools at an African Drug Discovery Center

Authors:
Jason Hlozek, Kelly Chibale, John G Woodland

Published date: 17 Jul 2024
Journal: ACS medicinal chemistry letters

132

The dichapetalins and dichapetalin-type compounds: structural diversity, bioactivity, and future research perspectives

Authors:
Ivan Addae-Mensah, Godwin Akpeko Dziwornu, Mary Anti Chama, Dorcas Osei-Safo

Published date: 4 Jul 2024
Journal: Natural product reports

131

2,8-Disubstituted-1,5-naphthyridines as Dual Inhibitors of Plasmodium falciparum Phosphatidylinositol-4-kinase and Hemozoin Formation with In Vivo Efficacy

Authors:
Godwin Akpeko Dziwornu, Donald Seanego, Stephen Fienberg, Monica Clements, Jasmin Ferreira, Venkata S Sypu, Sauvik Samanta, Ashlyn D Bhana, Constance M Korkor, Larnelle F Garnie, Nicole Teixeira, Kathryn J Wicht, Dale Taylor, Ronald Olckers, Mathew Njoroge, Liezl Gibhard, Nicolaas Salomane, Sergio Wittlin, Rohit Mahato, Arnish Chakraborty, Nicole Sevilleno, Rachael Coyle, Marcus C S Lee, Luiz C Godoy, Charisse Flerida Pasaje, Jacquin C Niles, Janette Reader, Mariette van der Watt, Lyn-Marié Birkholtz, Judith M Bolscher, Marloes H C de Bruijni, Lauren B Coulson, Gregory S Basarab, Sandeep R Ghorpade, Kelly Chibale

Published date: 25 Jun 2024
Journal: Journal of medicinal chemistry

130

Characterization of antimalarial activity of artemisinin-based hybrid drugs

Authors:
Helenita Costa Quadros, Lars Herrmann, Jeanne Manaranche, Lucie Paloque, Mariana C Borges-Silva, Godwin Akpeko Dziwornu, Sarah D'Alessandro, Kelly Chibale, Nicoletta Basilico, Françoise Benoit-Vical, Svetlana B Tsogoeva, Diogo Rodrigo M Moreira

Published date: 20 Jun 2024
Journal: Antimicrobial agents and chemotherapy

129

hERG, Plasmodium Life Cycle, and Cross Resistance Profiling of New Azabenzimidazole Analogues of Astemizole

Authors:
Dickson Mambwe, Dina Coertzen, Meta Leshabane, Mwila Mulubwa, Mathew Njoroge, Liezl Gibhard, Gareth Girling, Kathryn J Wicht, Marcus C S Lee, Sergio Wittlin, Diogo Rodrigo Magalhães Moreira, Lyn-Marie Birkholtz, Kelly Chibale

Published date: 17 Apr 2024
Journal: ACS medicinal chemistry letters

128

Tuberculosis treatment-shortening

Authors:
Vinayak Singh

Published date: 28 Mar 2024
Journal: Drug discovery today

127

Forging a Future Free from Neglected Tropical Diseases

Authors:
Flavio da Silva Emery, Kelly Chibale

Published date: 20 Mar 2024
Journal: ACS medicinal chemistry letters

126

Tips for Getting Your Manuscript Accepted into ACS Medicinal Chemistry Letters

Authors:
John G Woodland, Kelly Chibale

Published date: 20 Mar 2024
Journal: ACS medicinal chemistry letters

125

Unlocking Opportunities for Mycobacterium leprae and Mycobacterium ulcerans

Authors:
Mousumi Shyam, Sumit Kumar, Vinayak Singh

Published date: 31 Jan 2024
Journal: ACS infectious diseases

124

Experimental Evaluation of a 3-D CZT Imaging Spectrometer for Potential Use in Compton-Enhanced PET Imaging

Authors:
Yifei Jin, Michael Streicher, Hao Yang, Steven Brown, Zhong He, Ling-Jian Meng

Published date: 18 Dec 2023
Journal: IEEE transactions on radiation and plasma medical sciences

123

Drug discovery in Africa tackles zoonotic and related infections

Authors:
Christabel N Hikaambo, Natalia Shakela, John G Woodland, Kathryn J Wicht, Kelly Chibale

Published date: 18 Oct 2023
Journal: Science translational medicine

122

First fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa

Authors:
Gemma Turon, Jason Hlozek, John G Woodland, Ankur Kumar, Kelly Chibale, Miquel Duran-Frigola

Published date: 15 Sept 2023
Journal: Nature communications

121

Antimalarial drug discovery: progress and approaches

Authors:
Jair L Siqueira-Neto, Kathryn J Wicht, Kelly Chibale, Jeremy N Burrows, David A Fidock, Elizabeth A Winzeler

Published date: 31 Aug 2023
Journal: Nature reviews. Drug discovery

120

Anti-infectives Developed as Racemic Drugs in the 21st Century: Norm or Exception?

Authors:
Diego González Cabrera, Dennis A Smith, Gregory S Basarab, James Duffy, Thomas Spangenberg, Kelly Chibale

Published date: 19 Jul 2023
Journal: ACS medicinal chemistry letters

119

Population Pharmacokinetic Modeling and Dose Optimization of Acetaminophen and its Metabolites Following Intravenous Infusion in Critically ill Adults

Authors:
Kannan Sridharan, Mwila Mulubwa, Ali Mohamed Qader

Published date: 30 Jun 2023
Journal: European journal of drug metabolism and pharmacokinetics

118

Developing kinase inhibitors for malaria: an opportunity or liability?

Authors:
Koketso S P Mogwera, Kelly Chibale, Lauren B Arendse

Published date: 29 Jun 2023
Journal: Trends in parasitology

117

Editorial: Bacterial metabolomics approach towards antimicrobials and resistance

Authors:
Vijay Soni, Zhe Wang, Vinayak Singh

Published date: 16 Jun 2023
Journal: Frontiers in microbiology

116

Advances in malaria pharmacology and the online guide to MALARIA PHARMACOLOGY: IUPHAR review 38

Authors:
Jane F Armstrong, Brice Campo, Stephen P H Alexander, Lauren B Arendse, Xiu Cheng, Anthony P Davenport, Elena Faccenda, David A Fidock, Karla P Godinez-Macias, Simon D Harding, Nobutaka Kato, Marcus C S Lee, Madeline R Luth, Ralph Mazitschek, Nimisha Mittal, Jacquin C Niles, John Okombo, Sabine Ottilie, Charisse Flerida A Pasaje, Alexandra S Probst, Mukul Rawat, Frances Rocamora, Tomoyo Sakata-Kato, Christopher Southan, Michael Spedding, Mark A Tye, Tuo Yang, Na Zhao, Jamie A Davies

Published date: 17 May 2023
Journal: British journal of pharmacology

115

The first PET glimpse of a proton FLASH beam

Authors:
F Abouzahr, J P Cesar, P Crespo, M Gajda, Z Hu, W Kaye, K Klein, A S Kuo, S Majewski, O Mawlawi, A Morozov, A Ojha, F Poenisch, J C Polf, M Proga, N Sahoo, J Seco, T Takaoka, S Tavernier, U Titt, X Wang, X R Zhu, K Lang

Published date: 4 May 2023
Journal: Physics in medicine and biology

114

Recent developments of imidazo[1,2-a]pyridine analogues as antituberculosis agents

Authors:
Sauvik Samanta, Sumit Kumar, Eswar K Aratikatla, Sandeep R Ghorpade, Vinayak Singh

Published date: 1 May 2023
Journal: RSC medicinal chemistry

113

The implication of Mycobacterium tuberculosis-mediated metabolism of targeted xenobiotics

Authors:
Vinayak Singh, Godwin Akpeko Dziwornu, Kelly Chibale

Published date: 28 Apr 2023
Journal: Nature reviews. Chemistry

112

Integrating Pharmacokinetic-Pharmacodynamic Modeling and Physiologically Based Pharmacokinetic Modeling to Optimize Human Dose Predictions for Plasmodium falciparum Malaria: a Chloroquine Case Study

Authors:
Devasha Redhi, Mwila Mulubwa, Liezl Gibhard, Kelly Chibale

Published date: 3 Apr 2023
Journal: Antimicrobial agents and chemotherapy

111

A Water-Soluble Polymer-Lumefantrine Conjugate for the Intravenous Treatment of Severe Malaria

Authors:
William M R Matshe, Lesego L Tshweu, Sindisiwe Mvango, Zamani E D Cele, Avashnee S Chetty, Lynne A Pilcher, Ibukun M Famuyide, Lyndy J McGaw, Dale Taylor, Liezl Gibhard, Gregory S Basarab, Mohammed O Balogun

Published date: 31 Mar 2023
Journal: Macromolecular bioscience

110

Antimalarial Imidazopyridines Incorporating an Intramolecular Hydrogen Bonding Motif: Medicinal Chemistry and Mechanistic Studies

Authors:
Henrietta D Attram, Constance M Korkor, Dale Taylor, Mathew Njoroge, Kelly Chibale

Published date: 22 Mar 2023
Journal: ACS infectious diseases

109

Pyrido-Dibemequine Metabolites Exhibit Improved Druglike Features, Inhibit Hemozoin Formation in Plasmodium falciparum, and Synergize with Clinical Antimalarials

Authors:
John Okombo, Malkeet Kumar, Devasha Redhi, Kathryn J Wicht, Lubbe Wiesner, Timothy J Egan, Kelly Chibale

Published date: 21 Feb 2023
Journal: ACS infectious diseases

108

A Series of Spiropyrimidinetriones that Enhances DNA Cleavage Mediated by Mycobacterium tuberculosis Gyrase

Authors:
Jo Ann W Byl, Rudolf Mueller, Ben Bax, Gregory S Basarab, Kelly Chibale, Neil Osheroff

Published date: 21 Feb 2023
Journal: ACS infectious diseases

107

Identifying inhibitors of β-haematin formation with activity against chloroquine-resistant Plasmodium falciparum malaria parasites via virtual screening approaches

Authors:
Leah Amod, Roxanne Mohunlal, Nicole Teixeira, Timothy J Egan, Kathryn J Wicht

Published date: 14 Feb 2023
Journal: Scientific reports

106

The 2022 H3D Symposium: Celebrating over a Decade of African-Led Infectious Disease Drug Discovery to Enhance Global Health

Authors:
John G Woodland, Gregory S Basarab, Koketso Mogwera, Susan Winks, Kelly Chibale

Published date: 10 Feb 2023
Journal: ACS infectious diseases

105

Novel 3-Trifluoromethyl-1,2,4-oxadiazole Analogues of Astemizole with Multi-stage Antiplasmodium Activity and In Vivo Efficacy in a Plasmodium berghei Mouse Malaria Infection Model

Authors:
Dickson Mambwe, Constance M Korkor, Amanda Mabhula, Zama Ngqumba, Cleavon Cloete, Malkeet Kumar, Paula Ladeia Barros, Meta Leshabane, Dina Coertzen, Dale Taylor, Liezl Gibhard, Mathew Njoroge, Nina Lawrence, Janette Reader, Diogo Rodrigo Moreira, Lyn-Marie Birkholtz, Sergio Wittlin, Timothy J Egan, Kelly Chibale

Published date: 12 Dec 2022
Journal: Journal of medicinal chemistry

104

1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis

Authors:
Vinayak Singh, Anna E Grzegorzewicz, Stephen Fienberg, Rudolf Müller, Lutete Peguy Khonde, Olalla Sanz, Salvatore Alfonso, Beatriz Urones, Gerard Drewes, Marcus Bantscheff, Sonja Ghidelli-Disse, Thomas R Ioerger, Bhanupriya Angala, Jiuyu Liu, Richard E Lee, James C Sacchettini, Inna V Krieger, Mary Jackson, Kelly Chibale, Sandeep R Ghorpade

Published date: 3 Nov 2022
Journal: ACS infectious diseases

103

The anticancer human mTOR inhibitor sapanisertib potently inhibits multiple Plasmodium kinases and life cycle stages

Authors:
Lauren B Arendse, James M Murithi, Tarrick Qahash, Charisse Flerida A Pasaje, Luiz C Godoy, Sumanta Dey, Liezl Gibhard, Sonja Ghidelli-Disse, Gerard Drewes, Marcus Bantscheff, Maria J Lafuente-Monasterio, Stephen Fienberg, Lynn Wambua, Samuel Gachuhi, Dina Coertzen, Mariëtte van der Watt, Janette Reader, Ayesha S Aswat, Erica Erlank, Nelius Venter, Nimisha Mittal, Madeline R Luth, Sabine Ottilie, Elizabeth A Winzeler, Lizette L Koekemoer, Lyn-Marie Birkholtz, Jacquin C Niles, Manuel Llinás, David A Fidock, Kelly Chibale

Published date: 19 Oct 2022
Journal: Science translational medicine

102

Drug discovery research in Ghana, challenges, current efforts, and the way forward

Authors:
Richard Kwamla Amewu, Patrick Amoateng, Patrick Kobina Arthur, Prince Asare, Isaac Asiamah, Daniel Boamah, Isaac Darko Otchere, Cedric Dzidzor Amengor, Edmund Ekuadzi, Kelly Chibale, Susan Jane Farrell, Regina Appiah-Oppong, Dorcas Osei-Safo, Kevin David Read, Ian Hugh Gilbert, Dorothy Yeboah-Manu

Published date: 15 Sept 2022
Journal: PLoS neglected tropical diseases

101

Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed ortho-C(sp2)-H-Hydroxylation

Authors:
Alexander Berger, Talea Knak, Anna-Lene Kiffe-Delf, Korana Mudrovcic, Vinayak Singh, Mathew Njoroge, Bjoern B Burckhardt, Mohanraj Gopalswamy, Beate Lungerich, Lutz Ackermann, Holger Gohlke, Kelly Chibale, Rainer Kalscheuer, Thomas Kurz

Published date: 26 Aug 2022
Journal: Pharmaceuticals (Basel, Switzerland)

100

Innovation Experiences from Africa-Led Drug Discovery at the Holistic Drug Discovery and Development (H3D) Centre

Authors:
Vinayak Singh, Dickson Mambwe, Constance Mawunyo Korkor, Kelly Chibale

Published date: 18 Aug 2022
Journal: ACS medicinal chemistry letters

99

Keystone Malaria Symposium 2022: a vibrant discussion of progress made and challenges ahead from drug discovery to treatment

Authors:
Mariko Kanai, Laura M Hagenah, Elizabeth A Ashley, Kelly Chibale, David A Fidock

Published date: 21 Jul 2022
Journal: Trends in parasitology

98

Thwarting protein synthesis leads to malaria parasite paralysis

Authors:
Godfrey Mayoka, John G Woodland, Kelly Chibale

Published date: 17 Jul 2022
Journal: Trends in parasitology

97

Fostering drug discovery and development in Africa

Authors:
Susan Winks, John G Woodland, Goonaseelan 'Colin' Pillai, Kelly Chibale

Published date: 15 Jul 2022
Journal: Nature medicine

96

Spiropyrimidinetrione DNA Gyrase Inhibitors with Potent and Selective Antituberculosis Activity

Authors:
Preshendren Govender, Rudolf Müller, Kawaljit Singh, Virsinha Reddy, Charles J Eyermann, Stephen Fienberg, Sandeep R Ghorpade, Lizbé Koekemoer, Alissa Myrick, Dirk Schnappinger, Curtis Engelhart, Jaclynn Meshanni, Jo Ann W Byl, Neil Osheroff, Vinayak Singh, Kelly Chibale, Gregory S Basarab

Published date: 2 May 2022
Journal: Journal of medicinal chemistry

95

Spiropyrimidinetriones: a Class of DNA Gyrase Inhibitors with Activity against Mycobacterium tuberculosis and without Cross-Resistance to Fluoroquinolones

Authors:
Gregory S Basarab, Sandeep Ghorpade, Liezl Gibhard, Rudolf Mueller, Mathew Njoroge, Nashied Peton, Preshendren Govender, Lisa M Massoudi, Gregory Thomas Robertson, Anne J Lenaerts, Helena Ingrid Boshoff, Douglas Joerss, Tanya Parish, Thomas F Durand-Reville, Manos Perros, Vinayak Singh, Kelly Chibale

Published date: 10 Mar 2022
Journal: Antimicrobial agents and chemotherapy

94

Implications of Mycobacterium tuberculosis Metabolic Adaptability on Drug Discovery and Development

Authors:
Nicole C Cardoso, Kelly Chibale, Vinayak Singh

Published date: 17 Feb 2022
Journal: ACS infectious diseases

93

Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition

Authors:
Lauren B Arendse, Gyles E Cozier, Charles J Eyermann, Gregory S Basarab, Sylva L Schwager, Kelly Chibale, K Ravi Acharya, Edward D Sturrock

Published date: 3 Feb 2022
Journal: Journal of medicinal chemistry

92

Structural Rigidification of N-Aryl-pyrroles into Indoles Active against Intracellular and Drug-Resistant Mycobacteria

Authors:
Dorothy Semenya, Meir Touitou, Camila Maringolo Ribeiro, Fernando Rogerio Pavan, Luca Pisano, Vinayak Singh, Kelly Chibale, Georg Bano, Anita Toscani, Fabrizio Manetti, Beatrice Gianibbi, Daniele Castagnolo

Published date: 21 Jan 2022
Journal: ACS medicinal chemistry letters

91

A d-Phenylalanine-Benzoxazole Derivative Reveals the Role of the Essential Enzyme Rv3603c in the Pantothenate Biosynthetic Pathway of Mycobacterium tuberculosis

Authors:
Michael J Pepi, Shibin Chacko, Gary M Marqus, Vinayak Singh, Zhe Wang, Kyle Planck, Ryan T Cullinane, Penchala N Meka, Deviprasad R Gollapalli, Thomas R Ioerger, Kyu Y Rhee, Gregory D Cuny, Helena I M Boshoff, Lizbeth Hedstrom

Published date: 11 Jan 2022
Journal: ACS infectious diseases

90

Quinine fever

Authors:
John G Woodland, Kelly Chibale

Published date: 8 Jan 2022
Journal: Nature chemistry

89

Identification of Phytoconstituents as Potent Inhibitors of Casein Kinase-1 Alpha Using Virtual Screening and Molecular Dynamics Simulations

Authors:
Alaa Shafie, Shama Khan, None Zehra, Taj Mohammad, Farah Anjum, Gulam Mustafa Hasan, Dharmendra Kumar Yadav, Md Imtaiyaz Hassan

Published date: 28 Dec 2021
Journal: Pharmaceutics

88

The Artemiside-Artemisox-Artemisone-M1 Tetrad: Efficacies against Blood Stage P. falciparum Parasites, DMPK Properties, and the Case for Artemiside

Authors:
Liezl Gibhard, Dina Coertzen, Janette Reader, Mariëtte E van der Watt, Lyn-Marie Birkholtz, Ho Ning Wong, Kevin T Batty, Richard K Haynes, Lubbe Wiesner

Published date: 28 Dec 2021
Journal: Pharmaceutics

87

Impact of Deleterious Mutations on Structure, Function and Stability of Serum/Glucocorticoid Regulated Kinase 1: A Gene to Diseases Correlation

Authors:
Mohamed F AlAjmi, Shama Khan, Arunabh Choudhury, Taj Mohammad, Saba Noor, Afzal Hussain, Wenying Lu, Mathew Suji Eapen, Vrushali Chimankar, Philip M Hansbro, Sukhwinder Singh Sohal, Abdelbaset Mohamed Elasbali, Md Imtaiyaz Hassan

Published date: 22 Nov 2021
Journal: Frontiers in molecular biosciences

86

Myricetin inhibits breast and lung cancer cells proliferation via inhibiting MARK4

Authors:
Saleha Anwar, Shama Khan, Farah Anjum, Anas Shamsi, Parvez Khan, Hera Fatima, Alaa Shafie, Asimul Islam, Md Imtaiyaz Hassan

Published date: 9 Nov 2021
Journal: Journal of cellular biochemistry

85

MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease

Authors:
Rashid Waseem, Saleha Anwar, Shama Khan, Anas Shamsi, Md Imtaiyaz Hassan, Farah Anjum, Alaa Shafie, Asimul Islam, Dharmendra Kumar Yadav

Published date: 23 Oct 2021
Journal: International journal of molecular sciences

84

Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach

Authors:
Alaa Shafie, Shama Khan, Sagar Batra, Farah Anjum, Taj Mohammad, Shoaib Alam, Dharmendra Kumar Yadav, Asimul Islam, Md Imtaiyaz Hassan

Published date: 22 Oct 2021
Journal: PloS one

83

Population pharmacokinetic-pharmacodynamic modeling of acetaminophen in preterm neonates with hemodynamically significant patent ductus arteriosus

Authors:
Kannan Sridharan, Eman Al Ansari, Mwila Mulubwa, Arun Prasath Raju, Abdulraoof Al Madhoob, Muna Al Jufairi, Zakariya Hubail, Reem Al Marzooq, Sadeq Jaafar Radhi Hasan, Surulivelrajan Mallaysamy

Published date: 30 Sept 2021
Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences

82

Chemogenomic Fingerprints Associated with Stage-Specific Gametocytocidal Compound Action against Human Malaria Parasites

Authors:
Jandeli Niemand, Riëtte van Biljon, Mariëtte van der Watt, Ashleigh van Heerden, Janette Reader, Roelof van Wyk, Lindsey Orchard, Kelly Chibale, Manuel Llinás, Lyn-Marié Birkholtz

Published date: 27 Sept 2021
Journal: ACS infectious diseases

81

Editorial: Tuberculosis Drug Discovery & Development: Drug Targets, Chemical Matter, and Approaches

Authors:
Vinayak Singh

Published date: 27 Sept 2021
Journal: Frontiers in cellular and infection microbiology

80

1,3-Diarylpyrazolyl-acylsulfonamides as Potent Anti-tuberculosis Agents Targeting Cell Wall Biosynthesis in Mycobacterium tuberculosis

Authors:
Lutete Peguy Khonde, Rudolf Müller, Grant A Boyle, Virsinha Reddy, Aloysius T Nchinda, Charles J Eyermann, Stephen Fienberg, Vinayak Singh, Alissa Myrick, Efrem Abay, Mathew Njoroge, Nina Lawrence, Qin Su, Timothy G Myers, Helena I M Boshoff, Clifton E Barry, Frederick A Sirgel, Paul D van Helden, Lisa M Massoudi, Gregory T Robertson, Anne J Lenaerts, Gregory S Basarab, Sandeep R Ghorpade, Kelly Chibale

Published date: 20 Aug 2021
Journal: Journal of medicinal chemistry

79

Structure-Activity Relationship Studies Reveal New Astemizole Analogues Active against Plasmodium falciparum In Vitro

Authors:
Dickson Mambwe, Malkeet Kumar, Richard Ferger, Dale Taylor, Mathew Njoroge, Dina Coertzen, Janette Reader, Mariëtte van der Watt, Lyn-Marie Birkholtz, Kelly Chibale

Published date: 20 Aug 2021
Journal: ACS medicinal chemistry letters

78

High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes

Authors:
Hector Newman, Alen Krajnc, Dom Bellini, Charles J Eyermann, Grant A Boyle, Neil G Paterson, Katherine E McAuley, Robert Lesniak, Mukesh Gangar, Frank von Delft, Jürgen Brem, Kelly Chibale, Christopher J Schofield, Christopher G Dowson

Published date: 2 Aug 2021
Journal: Journal of medicinal chemistry

77

Antimycobacterial Activity, Synergism, and Mechanism of Action Evaluation of Novel Polycyclic Amines against Mycobacterium tuberculosis

Authors:
Erika Kapp, Jacques Joubert, Samantha L Sampson, Digby F Warner, Ronnett Seldon, Audrey Jordaan, Margaretha de Vos, Rajan Sharma, Sarel F Malan

Published date: 9 Jul 2021
Journal: Advances in pharmacological and pharmaceutical sciences

76

Impact of single amino acid substitution on the structure and function of TANK-binding kinase-1

Authors:
Mohd Umair, Shama Khan, Taj Mohammad, Alaa Shafie, Farah Anjum, Asimul Islam, Md Imtaiyaz Hassan

Published date: 8 Jul 2021
Journal: Journal of cellular biochemistry

75

The Plasmodium falciparum ABC transporter ABCI3 confers parasite strain-dependent pleiotropic antimalarial drug resistance

Authors:
James M Murithi, Ioanna Deni, Charisse Flerida A Pasaje, John Okombo, Jessica L Bridgford, Nina F Gnädig, Rachel L Edwards, Tomas Yeo, Sachel Mok, Anna Y Burkhard, Olivia Coburn-Flynn, Eva S Istvan, Tomoyo Sakata-Kato, Maria G Gomez-Lorenzo, Annie N Cowell, Kathryn J Wicht, Claire Le Manach, Gavreel F Kalantarov, Sumanta Dey, Maëlle Duffey, Benoît Laleu, Amanda K Lukens, Sabine Ottilie, Manu Vanaerschot, Ilya N Trakht, Francisco-Javier Gamo, Dyann F Wirth, Daniel E Goldberg, Audrey R Odom John, Kelly Chibale, Elizabeth A Winzeler, Jacquin C Niles, David A Fidock

Published date: 7 Jul 2021
Journal: Cell chemical biology

74

Rv0684/fusA1, an Essential Gene, Is the Target of Fusidic Acid and Its Derivatives in Mycobacterium tuberculosis

Authors:
Vinayak Singh, Godwin Akpeko Dziwornu, Amanda Mabhula, Kelly Chibale

Published date: 1 Jul 2021
Journal: ACS infectious diseases

73

Population Pharmacokinetics and Dose Optimization of Vancomycin in Critically Ill Children

Authors:
Kannan Sridharan, Mohammad Yaseen Abbasi, Mwila Mulubwa

Published date: 22 Jun 2021
Journal: European journal of drug metabolism and pharmacokinetics

72

Benzoheterocyclic Oxime Carbamates Active against Mycobacterium tuberculosis: Synthesis, Structure-Activity Relationship, Metabolism, and Biology Triaging

Authors:
Renier van der Westhuyzen, Amanda Mabhula, Paul M Njaria, Rudolf Müller, Denis Ngumbu Muhunga, Dale Taylor, Nina Lawrence, Mathew Njoroge, Christel Brunschwig, Atica Moosa, Vinayak Singh, Srinivasa P S Rao, Ujjini H Manjunatha, Paul W Smith, Digby F Warner, Leslie J Street, Kelly Chibale

Published date: 17 Jun 2021
Journal: Journal of medicinal chemistry

71

Structure-based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases

Authors:
Saleha Anwar, Shama Khan, Anas Shamsi, Farah Anjum, Alaa Shafie, Asimul Islam, Faizan Ahmad, Md Imtaiyaz Hassan

Published date: 14 Jun 2021
Journal: Journal of cellular biochemistry

70

Toward New Transmission-Blocking Combination Therapies: Pharmacokinetics of 10-Amino-Artemisinins and 11-Aza-Artemisinin and Comparison with Dihydroartemisinin and Artemether

Authors:
Daniel J Watson, Lizahn Laing, Liezl Gibhard, Ho Ning Wong, Richard K Haynes, Lubbe Wiesner

Published date: 7 Jun 2021
Journal: Antimicrobial agents and chemotherapy

69

Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1

Authors:
Insan Habib, Shama Khan, Taj Mohammad, Afzal Hussain, Mohamed F Alajmi, Tabish Rehman, Farah Anjum, Md Imtaiyaz Hassan

Published date: 13 May 2021
Journal: Journal of biomolecular structure & dynamics

68

Strategies to Combat Multi-Drug Resistance in Tuberculosis

Authors:
Vinayak Singh, Kelly Chibale

Published date: 22 Apr 2021
Journal: Accounts of chemical research

67

Perspectives on RNA Vaccine Candidates for COVID-19

Authors:
Pobitra Borah, Pran Kishore Deb, Nizar A Al-Shar'i, Lina A Dahabiyeh, Katharigatta N Venugopala, Vinayak Singh, Pottathil Shinu, Snawar Hussain, Satyendra Deka, Balakumar Chandrasekaran, Da'san M M Jaradat

Published date: 19 Apr 2021
Journal: Frontiers in molecular biosciences

66

Antimalarial Benzimidazole Derivatives Incorporating Phenolic Mannich Base Side Chains Inhibit Microtubule and Hemozoin Formation: Structure-Activity Relationship and In Vivo Oral Efficacy Studies

Authors:
Godwin Akpeko Dziwornu, Dina Coertzen, Meta Leshabane, Constance M Korkor, Cleavon K Cloete, Mathew Njoroge, Liezl Gibhard, Nina Lawrence, Janette Reader, Mariëtte van der Watt, Sergio Wittlin, Lyn-Marie Birkholtz, Kelly Chibale

Published date: 12 Apr 2021
Journal: Journal of medicinal chemistry

65

Neurological Consequences of SARS-CoV-2 Infection and Concurrence of Treatment-Induced Neuropsychiatric Adverse Events in COVID-19 Patients: Navigating the Uncharted

Authors:
Pobitra Borah, Pran Kishore Deb, Balakumar Chandrasekaran, Manoj Goyal, Monika Bansal, Snawar Hussain, Pottathil Shinu, Katharigatta N Venugopala, Nizar A Al-Shar'i, Satyendra Deka, Vinayak Singh

Published date: 8 Mar 2021
Journal: Frontiers in molecular biosciences

64

MalDA, Accelerating Malaria Drug Discovery

Authors:
Tuo Yang, Sabine Ottilie, Eva S Istvan, Karla P Godinez-Macias, Amanda K Lukens, Beatriz Baragaña, Brice Campo, Chris Walpole, Jacquin C Niles, Kelly Chibale, Koen J Dechering, Manuel Llinás, Marcus C S Lee, Nobutaka Kato, Susan Wyllie, Case W McNamara, Francisco Javier Gamo, Jeremy Burrows, David A Fidock, Daniel E Goldberg, Ian H Gilbert, Dyann F Wirth, Elizabeth A Winzeler, Malaria Drug Accelerator Consortium

Published date: 2 Mar 2021
Journal: Trends in parasitology

63

Plasmodium Kinases as Potential Drug Targets for Malaria: Challenges and Opportunities

Authors:
Lauren B Arendse, Susan Wyllie, Kelly Chibale, Ian H Gilbert

Published date: 16 Feb 2021
Journal: ACS infectious diseases

62

Identification and Profiling of a Novel Diazaspiro[3.4]octane Chemical Series Active against Multiple Stages of the Human Malaria Parasite Plasmodium falciparum and Optimization Efforts

Authors:
Claire Le Manach, Jean Dam, John G Woodland, Gurminder Kaur, Lutete P Khonde, Christel Brunschwig, Mathew Njoroge, Kathryn J Wicht, André Horatscheck, Tanya Paquet, Grant A Boyle, Liezl Gibhard, Dale Taylor, Nina Lawrence, Tomas Yeo, Sachel Mok, Richard T Eastman, Dorjbal Dorjsuren, Daniel C Talley, Hui Guo, Anton Simeonov, Janette Reader, Mariëtte van der Watt, Erica Erlank, Nelius Venter, Jacek W Zawada, Ayesha Aswat, Luisa Nardini, Theresa L Coetzer, Sonja B Lauterbach, Belinda C Bezuidenhout, Anjo Theron, Dalu Mancama, Lizette L Koekemoer, Lyn-Marie Birkholtz, Sergio Wittlin, Michael Delves, Sabine Ottilie, Elizabeth A Winzeler, Thomas W von Geldern, Dennis Smith, David A Fidock, Leslie J Street, Gregory S Basarab, James Duffy, Kelly Chibale

Published date: 12 Feb 2021
Journal: Journal of medicinal chemistry

61

Investigation of sphingosine kinase 1 inhibitory potential of cinchonine and colcemid targeting anticancer therapy

Authors:
Sonam Roy, Shama Khan, Deeba Shamim Jairajpuri, Afzal Hussain, Mohamed F Alajmi, Asimul Islam, Suaib Luqman, Suhel Parvez, Md Imtaiyaz Hassan

Published date: 10 Feb 2021
Journal: Journal of biomolecular structure & dynamics

60

Chemoprotective antimalarials identified through quantitative high-throughput screening of Plasmodium blood and liver stage parasites

Authors:
Dorjbal Dorjsuren, Richard T Eastman, Kathryn J Wicht, Daniel Jansen, Daniel C Talley, Benjamin A Sigmon, Alexey V Zakharov, Norma Roncal, Andrew T Girvin, Yevgeniya Antonova-Koch, Paul M Will, Pranav Shah, Hongmao Sun, Carleen Klumpp-Thomas, Sachel Mok, Tomas Yeo, Stephan Meister, Juan Jose Marugan, Leila S Ross, Xin Xu, David J Maloney, Ajit Jadhav, Bryan T Mott, Richard J Sciotti, Elizabeth A Winzeler, Norman C Waters, Robert F Campbell, Wenwei Huang, Anton Simeonov, David A Fidock

Published date: 23 Jan 2021
Journal: Scientific reports

59

Chemotherapy for human schistosomiasis: how far have we come? What's new? Where do we go from here?

Authors:
Godwin Akpeko Dziwornu, Henrietta Dede Attram, Samuel Gachuhi, Kelly Chibale

Published date: 22 Jan 2021
Journal: RSC medicinal chemistry

58

Multistage and transmission-blocking targeted antimalarials discovered from the open-source MMV Pandemic Response Box

Authors:
Janette Reader, Mariëtte E van der Watt, Dale Taylor, Claire Le Manach, Nimisha Mittal, Sabine Ottilie, Anjo Theron, Phanankosi Moyo, Erica Erlank, Luisa Nardini, Nelius Venter, Sonja Lauterbach, Belinda Bezuidenhout, Andre Horatscheck, Ashleigh van Heerden, Natalie J Spillman, Anne N Cowell, Jessica Connacher, Daniel Opperman, Lindsey M Orchard, Manuel Llinás, Eva S Istvan, Daniel E Goldberg, Grant A Boyle, David Calvo, Dalu Mancama, Theresa L Coetzer, Elizabeth A Winzeler, James Duffy, Lizette L Koekemoer, Gregory Basarab, Kelly Chibale, Lyn-Marié Birkholtz

Published date: 12 Jan 2021
Journal: Nature communications

57

Antitubercular 2-Pyrazolylpyrimidinones: Structure-Activity Relationship and Mode-of-Action Studies

Authors:
Candice Soares de Melo, Vinayak Singh, Alissa Myrick, Sandile B Simelane, Dale Taylor, Christel Brunschwig, Nina Lawrence, Dirk Schnappinger, Curtis A Engelhart, Anuradha Kumar, Tanya Parish, Qin Su, Timothy G Myers, Helena I M Boshoff, Clifton E Barry, Frederick A Sirgel, Paul D van Helden, Kirsteen I Buchanan, Tracy Bayliss, Simon R Green, Peter C Ray, Paul G Wyatt, Gregory S Basarab, Charles J Eyermann, Kelly Chibale, Sandeep R Ghorpade

Published date: 4 Jan 2021
Journal: Journal of medicinal chemistry

56

New Amidated 3,6-Diphenylated Imidazopyridazines with Potent Antiplasmodium Activity Are Dual Inhibitors of Plasmodium Phosphatidylinositol-4-kinase and cGMP-Dependent Protein Kinase

Authors:
Peter Mubanga Cheuka, Luyanda Centani, Lauren B Arendse, Stephen Fienberg, Lynn Wambua, Shoneeze S Renga, Godwin Akpeko Dziwornu, Malkeet Kumar, Nina Lawrence, Dale Taylor, Sergio Wittlin, Dina Coertzen, Janette Reader, Mariette van der Watt, Lyn-Marie Birkholtz, Kelly Chibale

Published date: 15 Dec 2020
Journal: ACS infectious diseases

55

Tuberculosis: An Update on Pathophysiology, Molecular Mechanisms of Drug Resistance, Newer Anti-TB Drugs, Treatment Regimens and Host- Directed Therapies

Authors:
Pobitra Borah, Pran K Deb, Katharigatta N Venugopala, Nizar A Al-Shar'i, Vinayak Singh, Satyendra Deka, Amavya Srivastava, Vinod Tiwari, Raghu P Mailavaram

Published date: 15 Dec 2020
Journal: Current topics in medicinal chemistry

54

Biological Profiling Enables Rapid Mechanistic Classification of Phenotypic Screening Hits and Identification of KatG Activation-Dependent Pyridine Carboxamide Prodrugs With Activity Against Mycobacterium tuberculosis

Authors:
Melissa D Chengalroyen, Audrey Jordaan, Ronnett Seldon, Thomas Ioerger, Scott G Franzblau, Mohamed Nasr, Digby F Warner, Valerie Mizrahi

Published date: 7 Dec 2020
Journal: Frontiers in cellular and infection microbiology

53

Identification of 2,4-Disubstituted Imidazopyridines as Hemozoin Formation Inhibitors with Fast-Killing Kinetics and In Vivo Efficacy in the Plasmodium falciparum NSG Mouse Model

Authors:
André Horatscheck, Ana Andrijevic, Aloysius T Nchinda, Claire Le Manach, Tanya Paquet, Lutete Peguy Khonde, Jean Dam, Kailash Pawar, Dale Taylor, Nina Lawrence, Christel Brunschwig, Liezl Gibhard, Mathew Njoroge, Janette Reader, Mariëtte van der Watt, Kathryn Wicht, Ana Carolina C de Sousa, John Okombo, Keletso Maepa, Timothy J Egan, Lyn-Marie Birkholtz, Gregory S Basarab, Sergio Wittlin, Paul V Fish, Leslie J Street, James Duffy, Kelly Chibale

Published date: 26 Oct 2020
Journal: Journal of medicinal chemistry

52

Structural Basis for Inhibitor Potency and Selectivity of Plasmodium falciparum Phosphatidylinositol 4-Kinase Inhibitors

Authors:
Stephen Fienberg, Charles J Eyermann, Lauren B Arendse, Gregory S Basarab, Jacob A McPhail, John E Burke, Kelly Chibale

Published date: 23 Sept 2020
Journal: ACS infectious diseases

51

Current advances in the clinical development of anti-tubercular agents

Authors:
Samanvai Reddy Tetali, Eswar Kunapaeddi, Raghu Prasad Mailavaram, Vinayak Singh, Pobitra Borah, Pran Kishore Deb, Katharigatta N Venugopala, Wafa Hourani, Rakesh Kumar Tekade

Published date: 21 Sept 2020
Journal: Tuberculosis (Edinburgh, Scotland)

50

Current Scenario and Future Prospect in the Management of COVID-19

Authors:
Pobitra Borah, Pran Kishore Deb, Satyendra Deka, Katharigatta N Venugopala, Vinayak Singh, Raghu Prasad Mailavaram, Kiran Kalia, Rakesh Kumar Tekade

Published date: 9 Sept 2020
Journal: Current medicinal chemistry

49

Antimicrobial evaluation of neutral and cationic iridium(III) and rhodium(III) aminoquinoline-benzimidazole hybrid complexes

Authors:
Nadia Baartzes, Audrey Jordaan, Digby F Warner, Jill Combrinck, Dale Taylor, Kelly Chibale, Gregory S Smith

Published date: 30 Aug 2020
Journal: European journal of medicinal chemistry

48

Potentiation of rifampin activity in a mouse model of tuberculosis by activation of host transcription factor EB

Authors:
Ruslana Bryk, Shashirekha Mundhra, Xiuju Jiang, Madeleine Wood, Daniel Pfau, Elaina Weber, Suna Park, Li Zhang, Colin Wilson, Renier Van der Westhuyzen, Leslie Street, Kelly Chibale, Matthew Zimmerman, Véronique Dartois, Nunzia Pastore, Andrea Ballabio, Natalie Hawryluk, Stacie Canan, Vikram Khetani, Joseph Camardo, Carl Nathan

Published date: 24 Jun 2020
Journal: PLoS pathogens

47

Synthesis, Structure-Activity Relationship, and Mechanistic Studies of Aminoquinazolinones Displaying Antimycobacterial Activity

Authors:
Jessica N Akester, Paul Njaria, Aloysius Nchinda, Claire Le Manach, Alissa Myrick, Vinayak Singh, Nina Lawrence, Mathew Njoroge, Dale Taylor, Atica Moosa, Anthony J Smith, Elizabeth J Brooks, Anne J Lenaerts, Gregory T Robertson, Thomas R Ioerger, Rudolf Mueller, Kelly Chibale

Published date: 30 May 2020
Journal: ACS infectious diseases

46

Structure-activity relationship analyses of fusidic acid derivatives highlight crucial role of the C-21 carboxylic acid moiety to its anti-mycobacterial activity

Authors:
Kawaljit Singh, Gurminder Kaur, Petrus Siningu Shanika, Godwin Akpeko Dziwornu, John Okombo, Kelly Chibale

Published date: 5 May 2020
Journal: Bioorganic & medicinal chemistry

45

Inhibition of Resistance-Refractory P. falciparum Kinase PKG Delivers Prophylactic, Blood Stage, and Transmission-Blocking Antiplasmodial Activity

Authors:
Manu Vanaerschot, James M Murithi, Charisse Flerida A Pasaje, Sonja Ghidelli-Disse, Louis Dwomoh, Megan Bird, Natasha Spottiswoode, Nimisha Mittal, Lauren B Arendse, Edward S Owen, Kathryn J Wicht, Giulia Siciliano, Markus Bösche, Tomas Yeo, T R Santha Kumar, Sachel Mok, Emma F Carpenter, Marla J Giddins, Olalla Sanz, Sabine Ottilie, Pietro Alano, Kelly Chibale, Manuel Llinás, Anne-Catrin Uhlemann, Michael Delves, Andrew B Tobin, Christian Doerig, Elizabeth A Winzeler, Marcus C S Lee, Jacquin C Niles, David A Fidock

Published date: 4 May 2020
Journal: Cell chemical biology

44

Computational model for detector timing effects in Compton-camera based prompt-gamma imaging for proton radiotherapy

Authors:
Paul Maggi, Steve Peterson, Rajesh Panthi, Dennis Mackin, Hao Yang, Zhong He, Sam Beddar, Jerimy Polf

Published date: 23 Apr 2020
Journal: Physics in medicine and biology

43

Lerisetron Analogues with Antimalarial Properties: Synthesis, Structure-Activity Relationship Studies, and Biological Assessment

Authors:
Rudolf Mueller, Virsinha Reddy, Aloysius T Nchinda, Fanuel Mebrahtu, Dale Taylor, Nina Lawrence, Lloyd Tanner, Marine Barnabe, Charles J Eyermann, Bin Zou, Ravinder R Kondreddi, Suresh B Lakshminarayana, Matthias Rottmann, Leslie J Street, Kelly Chibale

Published date: 8 Apr 2020
Journal: ACS omega

42

Synthesis and evaluation of the performance of a small molecule library based on diverse tropane-related scaffolds

Authors:
Robert A Lowe, Dale Taylor, Kelly Chibale, Adam Nelson, Stephen P Marsden

Published date: 27 Mar 2020
Journal: Bioorganic & medicinal chemistry

41

The quest for the holy grail: new antitubercular chemical entities, targets and strategies

Authors:
Stanislav Huszár, Kelly Chibale, Vinayak Singh

Published date: 17 Feb 2020
Journal: Drug discovery today

40

Safety, Tolerability, Pharmacokinetics, and Antimalarial Activity of the Novel Plasmodium Phosphatidylinositol 4-Kinase Inhibitor MMV390048 in Healthy Volunteers

Authors:
Phumla Sinxadi, Cristina Donini, Hilary Johnstone, Grant Langdon, Lubbe Wiesner, Elizabeth Allen, Stephan Duparc, Stephan Chalon, James S McCarthy, Ulrike Lorch, Kelly Chibale, Jörg Möhrle, Karen I Barnes

Published date: 15 Jan 2020
Journal: Antimicrobial agents and chemotherapy

39

Plasmepsin Inhibitors in Antimalarial Drug Discovery: Medicinal Chemistry and Target Validation (2000 to Present)

Authors:
Peter Mubanga Cheuka, Godwin Dziwornu, John Okombo, Kelly Chibale

Published date: 9 Jan 2020
Journal: Journal of medicinal chemistry

38

Combining Stage Specificity and Metabolomic Profiling to Advance Antimalarial Drug Discovery

Authors:
James M Murithi, Edward S Owen, Eva S Istvan, Marcus C S Lee, Sabine Ottilie, Kelly Chibale, Daniel E Goldberg, Elizabeth A Winzeler, Manuel Llinás, David A Fidock, Manu Vanaerschot

Published date: 10 Dec 2019
Journal: Cell chemical biology

37

Exploring the Antiplasmodial 2-Aminopyridines as Potential Antitrypanosomal Agents

Authors:
Clinton G L Veale, Dustin Laming, Tarryn Swart, Kelly Chibale, Heinrich C Hoppe

Published date: 1 Nov 2019
Journal: ChemMedChem

36

Drug-resistance in Mycobacterium tuberculosis: where we stand

Authors:
Amanda Mabhula, Vinayak Singh

Published date: 20 Sept 2019
Journal: MedChemComm

35

In Vitro Efficacies, ADME, and Pharmacokinetic Properties of Phenoxazine Derivatives Active against Mycobacterium tuberculosis

Authors:
Lloyd Tanner, Joanna C Evans, Ronnett Seldon, Audrey Jordaan, Digby F Warner, Richard K Haynes, Christopher J Parkinson, Lubbe Wiesner

Published date: 21 Aug 2019
Journal: Antimicrobial agents and chemotherapy

34

Synergistic enhancement of beta-lactam antibiotics by modified tunicamycin analogs TunR1 and TunR2

Authors:
Neil P J Price, Michael A Jackson, Vinayak Singh, Trina M Hartman, Judith A Blackburn, Patrick F Dowd

Published date: 18 Aug 2019
Journal: The Journal of antibiotics

33

Semisynthetic Antimycobacterial C-3 Silicate and C-3/C-21 Ester Derivatives of Fusidic Acid: Pharmacological Evaluation and Stability Studies in Liver Microsomes, Rat Plasma, and Mycobacterium tuberculosis culture

Authors:
Mathew Njoroge, Gurminder Kaur, Marlene Espinoza-Moraga, Antonina Wasuna, Godwin Akpeko Dziwornu, Ronnett Seldon, Dale Taylor, John Okombo, Digby F Warner, Kelly Chibale

Published date: 17 Jul 2019
Journal: ACS infectious diseases

32

Novel antimycobacterial C-21 amide derivatives of the antibiotic fusidic acid: synthesis, pharmacological evaluation and rationalization of media-dependent activity using molecular docking studies in the binding site of human serum albumin

Authors:
Godwin Akpeko Dziwornu, Stephanie Kamunya, Tando Ntsabo, Kelly Chibale

Published date: 16 Jul 2019
Journal: MedChemComm

31

Bioisosteric ferrocenyl aminoquinoline-benzimidazole hybrids: Antimicrobial evaluation and mechanistic insights

Authors:
N Baartzes, T Stringer, R Seldon, D F Warner, D Taylor, S Wittlin, K Chibale, G S Smith

Published date: 14 Jul 2019
Journal: European journal of medicinal chemistry

30

Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of β-Lactam Target-Mediated Resistance

Authors:
Dom Bellini, Lizbé Koekemoer, Hector Newman, Christopher G Dowson

Published date: 14 Jul 2019
Journal: Journal of molecular biology

29

Azaaurones as Potent Antimycobacterial Agents Active against MDR- and XDR-TB

Authors:
André Campaniço, Marta P Carrasco, Mathew Njoroge, Ronnett Seldon, Kelly Chibale, João Perdigão, Isabel Portugal, Digby F Warner, Rui Moreira, Francisca Lopes

Published date: 12 Jul 2019
Journal: ChemMedChem

28

Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH

Authors:
Vinayak Singh, Angela Pacitto, Stefano Donini, Davide M Ferraris, Sándor Boros, Eszter Illyés, Bálint Szokol, Menico Rizzi, Tom L Blundell, David B Ascher, Janos Pato, Valerie Mizrahi

Published date: 6 May 2019
Journal: European journal of medicinal chemistry

27

Antimalarial Pyrido[1,2- a]benzimidazole Derivatives with Mannich Base Side Chains: Synthesis, Pharmacological Evaluation, and Reactive Metabolite Trapping Studies

Authors:
John Okombo, Christel Brunschwig, Kawaljit Singh, Godwin Akpeko Dziwornu, Linley Barnard, Mathew Njoroge, Sergio Wittlin, Kelly Chibale

Published date: 5 Jan 2019
Journal: ACS infectious diseases

26

Structure-Activity Relationship Studies and Plasmodium Life Cycle Profiling Identifies Pan-Active N-Aryl-3-trifluoromethyl Pyrido[1,2- a]benzimidazoles Which Are Efficacious in an in Vivo Mouse Model of Malaria

Authors:
Godfrey Mayoka, Mathew Njoroge, John Okombo, Liezl Gibhard, Margarida Sanches-Vaz, Diana Fontinha, Lyn-Marie Birkholtz, Janette Reader, Mariëtte van der Watt, Theresa L Coetzer, Sonja Lauterbach, Alisje Churchyard, Belinda Bezuidenhout, Timothy J Egan, Clive Yeates, Sergio Wittlin, Miguel Prudêncio, Kelly Chibale

Published date: 19 Dec 2018
Journal: Journal of medicinal chemistry

25

Multistage Antiplasmodium Activity of Astemizole Analogues and Inhibition of Hemozoin Formation as a Contributor to Their Mode of Action

Authors:
Malkeet Kumar, John Okombo, Dickson Mambwe, Dale Taylor, Nina Lawrence, Janette Reader, Mariëtte van der Watt, Diana Fontinha, Margarida Sanches-Vaz, Belinda C Bezuidenhout, Sonja B Lauterbach, Dale Liebenberg, Lyn-Marie Birkholtz, Theresa L Coetzer, Miguel Prudêncio, Timothy J Egan, Sergio Wittlin, Kelly Chibale

Published date: 12 Dec 2018
Journal: ACS infectious diseases

24

Antiplasmodial imidazopyridazines: structure-activity relationship studies lead to the identification of analogues with improved solubility and hERG profiles

Authors:
Peter Mubanga Cheuka, Nina Lawrence, Dale Taylor, Sergio Wittlin, Kelly Chibale

Published date: 16 Nov 2018
Journal: MedChemComm

23

Erratum for Brunschwig et al., "UCT943, a Next-Generation Plasmodium falciparum PI4K Inhibitor Preclinical Candidate for the Treatment of Malaria"

Authors:
Christel Brunschwig, Nina Lawrence, Dale Taylor, Efrem Abay, Mathew Njoroge, Gregory S Basarab, Claire Le Manach, Tanya Paquet, Diego Gonzàlez Cabrera, Aloysius T Nchinda, Carmen de Kock, Lubbe Wiesner, Paolo Denti, David Waterson, Benjamin Blasco, Didier Leroy, Michael J Witty, Cristina Donini, James Duffy, Sergio Wittlin, Karen L White, Susan A Charman, Maria Belén Jiménez-Díaz, Iñigo Angulo-Barturen, Esperanza Herreros, Francisco Javier Gamo, Rosemary Rochford, Dalu Mancama, Theresa L Coetzer, Mariëtte E van der Watt, Janette Reader, Lyn-Marie Birkholtz, Kennan C Marsh, Suresh M Solapure, John E Burke, Jacob A McPhail, Manu Vanaerschot, David A Fidock, Paul V Fish, Peter Siegl, Dennis A Smith, Grennady Wirjanata, Rintis Noviyanti, Ric N Price, Jutta Marfurt, Kigbafori D Silue, Leslie J Street, Kelly Chibale

Published date: 26 Oct 2018
Journal: Antimicrobial agents and chemotherapy

22

The Next Generation Scientist program: capacity-building for future scientific leaders in low- and middle-income countries

Authors:
Goonaseelan Pillai, Kelly Chibale, Edwin C Constable, Akiko N Keller, Marcelo M Gutierrez, Fareed Mirza, Christian Sengstag, Collen Masimirembwa, Paolo Denti, Gary Maartens, Michèle Ramsay, Bernhards Ogutu, Eyasu Makonnen, Richard Gordon, Carlos Gil Ferreira, Fernando Alberto Goldbaum, Wim M S Degrave, Jonathan Spector, Brigitta Tadmor, Hedwig J Kaiser

Published date: 12 Oct 2018
Journal: BMC medical education

21

Antimalarial Lead-Optimization Studies on a 2,6-Imidazopyridine Series within a Constrained Chemical Space To Circumvent Atypical Dose-Response Curves against Multidrug Resistant Parasite Strains

Authors:
Claire Le Manach, Tanya Paquet, Kathryn Wicht, Aloysius T Nchinda, Christel Brunschwig, Mathew Njoroge, Liezl Gibhard, Dale Taylor, Nina Lawrence, Sergio Wittlin, Charles J Eyermann, Gregory S Basarab, James Duffy, Paul V Fish, Leslie J Street, Kelly Chibale

Published date: 27 Sept 2018
Journal: Journal of medicinal chemistry

20

Investigating Sulfoxide-to-Sulfone Conversion as a Prodrug Strategy for a Phosphatidylinositol 4-Kinase Inhibitor in a Humanized Mouse Model of Malaria

Authors:
Liezl Gibhard, Mathew Njoroge, Tanya Paquet, Christel Brunschwig, Dale Taylor, Nina Lawrence, Efrem Abay, Sergio Wittlin, Lubbe Wiesner, Leslie J Street, Kelly Chibale, Gregory S Basarab

Published date: 26 Sept 2018
Journal: Antimicrobial agents and chemotherapy

19

Defining the Determinants of Specificity of Plasmodium Proteasome Inhibitors

Authors:
Euna Yoo, Barbara H Stokes, Hanna de Jong, Manu Vanaerschot, Trs Kumar, Nina Lawrence, Mathew Njoroge, Arnold Garcia, Renier Van der Westhuyzen, Jeremiah D Momper, Caroline L Ng, David A Fidock, Matthew Bogyo

Published date: 16 Aug 2018
Journal: Journal of the American Chemical Society

18

UCT943, a Next-Generation Plasmodium falciparum PI4K Inhibitor Preclinical Candidate for the Treatment of Malaria

Authors:
Christel Brunschwig, Nina Lawrence, Dale Taylor, Efrem Abay, Mathew Njoroge, Gregory S Basarab, Claire Le Manach, Tanya Paquet, Diego Gonzàlez Cabrera, Aloysius T Nchinda, Carmen de Kock, Lubbe Wiesner, Paolo Denti, David Waterson, Benjamin Blasco, Didier Leroy, Michael J Witty, Cristina Donini, James Duffy, Sergio Wittlin, Karen L White, Susan A Charman, Maria Belén Jiménez-Díaz, Iñigo Angulo-Barturen, Esperanza Herreros, Francisco Javier Gamo, Rosemary Rochford, Dalu Mancama, Theresa L Coetzer, Mariëtte E van der Watt, Janette Reader, Lyn-Marie Birkholtz, Kennan C Marsh, Suresh M Solapure, John E Burke, Jacob A McPhail, Manu Vanaerschot, David A Fidock, Paul V Fish, Peter Siegl, Dennis A Smith, Grennady Wirjanata, Rintis Noviyanti, Ric N Price, Jutta Marfurt, Kigbafori D Silue, Leslie J Street, Kelly Chibale

Published date: 27 Jun 2018
Journal: Antimicrobial agents and chemotherapy

17

Identification, Characterization, and Optimization of 2,8-Disubstituted-1,5-naphthyridines as Novel Plasmodium falciparum Phosphatidylinositol-4-kinase Inhibitors with in Vivo Efficacy in a Humanized Mouse Model of Malaria

Authors:
Nishanth Kandepedu, Diego Gonzàlez Cabrera, Srinivas Eedubilli, Dale Taylor, Christel Brunschwig, Liezl Gibhard, Mathew Njoroge, Nina Lawrence, Tanya Paquet, Charles J Eyermann, Thomas Spangenberg, Gregory S Basarab, Leslie J Street, Kelly Chibale

Published date: 12 Jun 2018
Journal: Journal of medicinal chemistry

16

Expanding Benzoxazole-Based Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitor Structure-Activity As Potential Antituberculosis Agents

Authors:
Shibin Chacko, Helena I M Boshoff, Vinayak Singh, Davide M Ferraris, Deviprasad R Gollapalli, Minjia Zhang, Ann P Lawson, Michael J Pepi, Andrzej Joachimiak, Menico Rizzi, Valerie Mizrahi, Gregory D Cuny, Lizbeth Hedstrom

Published date: 11 May 2018
Journal: Journal of medicinal chemistry

15

Hit discovery of Mycobacterium tuberculosis inosine 5'-monophosphate dehydrogenase, GuaB2, inhibitors

Authors:
Niteshkumar U Sahu, Vinayak Singh, Davide M Ferraris, Menico Rizzi, Prashant S Kharkar

Published date: 28 Apr 2018
Journal: Bioorganic & medicinal chemistry letters

14

Synthesis and biological evaluation of aryl-oxadiazoles as inhibitors of Mycobacterium tuberculosis

Authors:
Maria Angeles Martinez-Grau, Isabel C Gonzalez Valcarcel, Julie V Early, Richard Klaus Gessner, Candice Soares de Melo, Eva Maria Martin de la Nava, Aaron Korkegian, Yulia Ovechkina, Lindsay Flint, Anisa Gravelle, Jeff W Cramer, Prashant V Desai, Leslie J Street, Joshua Odingo, Thierry Masquelin, Kelly Chibale, Tanya Parish

Published date: 23 Apr 2018
Journal: Bioorganic & medicinal chemistry letters

13

Identification of Fast-Acting 2,6-Disubstituted Imidazopyridines That Are Efficacious in the in Vivo Humanized Plasmodium falciparum NODscidIL2Rγ null Mouse Model of Malaria

Authors:
Aloysius T Nchinda, Claire Le Manach, Tanya Paquet, Diego Gonzàlez Cabrera, Kathryn J Wicht, Christel Brunschwig, Mathew Njoroge, Efrem Abay, Dale Taylor, Nina Lawrence, Sergio Wittlin, María-Belén Jiménez-Díaz, María Santos Martínez, Santiago Ferrer, Iñigo Angulo-Barturen, Maria Jose Lafuente-Monasterio, James Duffy, Jeremy Burrows, Leslie J Street, Kelly Chibale

Published date: 19 Apr 2018
Journal: Journal of medicinal chemistry

12

2-Mercapto-Quinazolinones as Inhibitors of Type II NADH Dehydrogenase and Mycobacterium tuberculosis: Structure-Activity Relationships, Mechanism of Action and Absorption, Distribution, Metabolism, and Excretion Characterization

Authors:
Dinakaran Murugesan, Peter C Ray, Tracy Bayliss, Gareth A Prosser, Justin R Harrison, Kirsteen Green, Candice Soares de Melo, Tzu-Shean Feng, Leslie J Street, Kelly Chibale, Digby F Warner, Valerie Mizrahi, Ola Epemolu, Paul Scullion, Lucy Ellis, Jennifer Riley, Yoko Shishikura, Liam Ferguson, Maria Osuna-Cabello, Kevin D Read, Simon R Green, Dirk A Lamprecht, Peter M Finin, Adrie J C Steyn, Thomas R Ioerger, Jim Sacchettini, Kyu Y Rhee, Kriti Arora, Clifton E Barry, Paul G Wyatt, Helena I M Boshoff

Published date: 10 Mar 2018
Journal: ACS infectious diseases

11

Potent Plasmodium falciparum gametocytocidal compounds identified by exploring the kinase inhibitor chemical space for dual active antimalarials

Authors:
Mariëtte E van der Watt, Janette Reader, Alisje Churchyard, Sindisiwe H Nondaba, Sonja B Lauterbach, Jandeli Niemand, Sijuade Abayomi, Riëtte A van Biljon, Jessica I Connacher, Roelof D J van Wyk, Claire Le Manach, Tanya Paquet, Diego González Cabrera, Christel Brunschwig, Anjo Theron, Sonia Lozano-Arias, Janneth F I Rodrigues, Esperanza Herreros, Didier Leroy, James Duffy, Leslie J Street, Kelly Chibale, Dalu Mancama, Theresa L Coetzer, Lyn-Marie Birkholtz

Published date: 9 Feb 2018
Journal: The Journal of antimicrobial chemotherapy

10

Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies

Authors:
Colin R Wilson, Richard K Gessner, Atica Moosa, Ronnett Seldon, Digby F Warner, Valerie Mizrahi, Candice Soares de Melo, Sandile B Simelane, Aloysius Nchinda, Efrem Abay, Dale Taylor, Mathew Njoroge, Christel Brunschwig, Nina Lawrence, Helena I M Boshoff, Clifton E Barry, Frederick A Sirgel, Paul van Helden, C John Harris, Richard Gordon, Sonja Ghidelli-Disse, Hannah Pflaumer, Markus Boesche, Gerard Drewes, Olalla Sanz, Gracia Santos, Maria José Rebollo-Lopez, Beatriz Urones, Carolyn Selenski, Maria Jose Lafuente-Monasterio, Matthew Axtman, Joël Lelièvre, Lluis Ballell, Rudolf Mueller, Leslie J Street, Sandeep R Ghorpade, Kelly Chibale

Published date: 18 Nov 2017
Journal: Journal of medicinal chemistry

9

Insights into Integrated Lead Generation and Target Identification in Malaria and Tuberculosis Drug Discovery

Authors:
John Okombo, Kelly Chibale

Published date: 22 Jun 2017
Journal: Accounts of chemical research

8

Direct Experimental Evidence for Halogen-Aryl π Interactions in Solution from Molecular Torsion Balances

Authors:
Han Sun, André Horatscheck, Vera Martos, Max Bartetzko, Ulrike Uhrig, Dieter Lentz, Peter Schmieder, Marc Nazaré

Published date: 29 Apr 2017
Journal: Angewandte Chemie (International ed. in English)

7

Antischistosomal Activity of Pyrido[1,2-a]benzimidazole Derivatives and Correlation with Inhibition of β-Hematin Formation

Authors:
John Okombo, Kawaljit Singh, Godfrey Mayoka, Ferdinand Ndubi, Linley Barnard, Peter M Njogu, Mathew Njoroge, Liezl Gibhard, Christel Brunschwig, Mireille Vargas, Jennifer Keiser, Timothy J Egan, Kelly Chibale

Published date: 26 Apr 2017
Journal: ACS infectious diseases

6

Intestinal Transport Characteristics and Metabolism of C-Glucosyl Dihydrochalcone, Aspalathin

Authors:
Sandra Bowles, Elizabeth Joubert, Dalene de Beer, Johan Louw, Christel Brunschwig, Mathew Njoroge, Nina Lawrence, Lubbe Wiesner, Kelly Chibale, Christo Muller

Published date: 31 Mar 2017
Journal: Molecules (Basel, Switzerland)

5

Identification of a Potential Antimalarial Drug Candidate from a Series of 2-Aminopyrazines by Optimization of Aqueous Solubility and Potency across the Parasite Life Cycle

Authors:
Claire Le Manach, Aloysius T Nchinda, Tanya Paquet, Diego Gonzàlez Cabrera, Yassir Younis, Ze Han, Sridevi Bashyam, Mohammed Zabiulla, Dale Taylor, Nina Lawrence, Karen L White, Susan A Charman, David Waterson, Michael J Witty, Sergio Wittlin, Mariëtte E Botha, Sindisiswe H Nondaba, Janette Reader, Lyn-Marie Birkholtz, María Belén Jiménez-Díaz, María Santos Martínez, Santiago Ferrer, Iñigo Angulo-Barturen, Stephan Meister, Yevgeniya Antonova-Koch, Elizabeth A Winzeler, Leslie J Street, Kelly Chibale

Published date: 18 Oct 2016
Journal: Journal of medicinal chemistry

4

Carbon-14 radiolabeling and tissue distribution evaluation of MMV390048

Authors:
Molahlehi S Sonopo, Adushan Pillay, Kelly Chibale, Biljana Marjanovic-Painter, Cristina Donini, Jan R Zeevaart

Published date: 21 Sept 2016
Journal: Journal of labelled compounds & radiopharmaceuticals

3

Pyrrolo[3,4-c]pyridine-1,3(2H)-diones: A Novel Antimycobacterial Class Targeting Mycobacterial Respiration

Authors:
Renier van der Westhuyzen, Susan Winks, Colin R Wilson, Grant A Boyle, Richard K Gessner, Candice Soares de Melo, Dale Taylor, Carmen de Kock, Mathew Njoroge, Christel Brunschwig, Nina Lawrence, Srinivasa P S Rao, Frederick Sirgel, Paul van Helden, Ronnett Seldon, Atica Moosa, Digby F Warner, Luca Arista, Ujjini H Manjunatha, Paul W Smith, Leslie J Street, Kelly Chibale

Published date: 10 Nov 2015
Journal: Journal of medicinal chemistry

2

Aminopyrazolo[1,5-a]pyrimidines as potential inhibitors of Mycobacterium tuberculosis: Structure activity relationships and ADME characterization

Authors:
Candice Soares de Melo, Tzu-Shean Feng, Renier van der Westhuyzen, Richard K Gessner, Leslie J Street, Garreth L Morgans, Digby F Warner, Atica Moosa, Krupa Naran, Nina Lawrence, Helena I M Boshoff, Clifton E Barry, C John Harris, Richard Gordon, Kelly Chibale

Published date: 3 Nov 2015
Journal: Bioorganic & medicinal chemistry

1

Structure-Activity Relationship Studies of Orally Active Antimalarial 2,4-Diamino-thienopyrimidines

Authors:
Diego Gonzàlez Cabrera, Frederic Douelle, Claire Le Manach, Ze Han, Tanya Paquet, Dale Taylor, Mathew Njoroge, Nina Lawrence, Lubbe Wiesner, David Waterson, Michael J Witty, Sergio Wittlin, Leslie J Street, Kelly Chibale

Published date: 1 Sept 2015
Journal: Journal of medicinal chemistry