Grace Mugumbate
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ChEMBL: towards direct deposition of bioassay data
D Mendez, A Gaulton, AP Bento, J Chambers, M De Veij, E Félix, ...
Nucleic acids research 47 (D1), D930-D940, 2019
Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation
G Mugumbate, KA Abrahams, JAG Cox, G Papadatos, G van Westen, ...
PloS one 10 (3), e0121492, 2015
Synthesis and structure–activity-relationship studies of thiazolidinediones as antiplasmodial inhibitors of the Plasmodium falciparum cysteine protease falcipain-2
RK Sharma, Y Younis, G Mugumbate, M Njoroge, J Gut, PJ Rosenthal, ...
European journal of medicinal chemistry 90, 507-518, 2015
The relationship between target-class and the physicochemical properties of antibacterial drugs
G Mugumbate, JP Overington
Bioorganic & medicinal chemistry 23 (16), 5218-5224, 2015
Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery
MJ Rebollo-Lopez, J Leličvre, D Alvarez-Gomez, J Castro-Pichel, ...
PloS one 10 (12), e0142293, 2015
3-Hydroxyisoflavanones from the stem bark of Dalbergia melanoxylon: Isolation, antimycobacterial evaluation and molecular docking studies
P Mutai, M Heydenreich, G Thoithi, G Mugumbate, K Chibale, A Yenesew
Phytochemistry Letters 6 (4), 671-675, 2013
Novel inhibitors of Mycobacterium tuberculosis GuaB2 identified by a target based high-throughput phenotypic screen
JAG Cox, G Mugumbate, LVG Del Peral, M Jankute, KA Abrahams, ...
Scientific reports 6 (1), 1-10, 2016
Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents
M Tukulula, M Njoroge, GC Mugumbate, J Gut, PJ Rosenthal, S Barteau, ...
Bioorganic & medicinal chemistry 21 (17), 4904-4913, 2013
In silico comparison of antimycobacterial natural products with known antituberculosis drugs
M Espinoza-Moraga, NM Njuguna, G Mugumbate, J Caballero, K Chibale
Journal of chemical information and modeling 53 (3), 649-660, 2013
Synthesis and in vitro and in vivo pharmacological evaluation of new 4-aminoquinoline-based compounds
M Tukulula, M Njoroge, ET Abay, GC Mugumbate, L Wiesner, D Taylor, ...
ACS medicinal chemistry letters 4 (12), 1198-1202, 2013
Novel anti-plasmodial hits identified by virtual screening of the ZINC database
G Mugumbate, AS Newton, PJ Rosenthal, J Gut, R Moreira, K Chibale, ...
Journal of computer-aided molecular design 27 (10), 859-871, 2013
Target identification of Mycobacterium tuberculosis phenotypic hits using a concerted chemogenomic, biophysical, and structural approach
G Mugumbate, V Mendes, M Blaszczyk, M Sabbah, G Papadatos, ...
Frontiers in pharmacology 8, 681, 2017
Anopheles gambiae, Anoga-HrTH hormone, free and bound structure–A nuclear magnetic resonance experiment
G Mugumbate, GE Jackson, D van der Spoel, KE Kövér, L Szilágyi
Peptides 41, 94-100, 2013
Open conformation of adipokinetic hormone receptor from the malaria mosquito facilitates hormone binding
G Mugumbate, GE Jackson, D Van der Spoel
Peptides 32 (3), 553-559, 2011
Structural studies of adipokinetic hormones in water and DPC micelle solution using NMR distance restrained molecular dynamics
GE Jackson, R Gamieldien, G Mugumbate, G Gäde
Peptides 53, 270-277, 2014
TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species
S Malhotra, G Mugumbate, TL Blundell, AP Higueruelo
Database 2017, 2017
Strategies and opportunities for promoting bioinformatics in Zimbabwe
R Shoko, J Manasa, M Maphosa, J Mbanga, R Mudziwapasi, ...
PLoS computational biology 14 (11), e1006480, 2018
Natural Products: A Potential Source of Malaria Transmission Blocking Drugs?
P Moyo, G Mugumbate, JN Eloff, AI Louw, VJ Maharaj, LM Birkholtz
Pharmaceuticals 13 (9), 251, 2020
Computational deorphaning of Mycobacterium tuberculosis targets
LY Bishi, SC Vedithi, TL Blundell, GC Mugumbate
Drug Discovery and Development-New Advances, 2019
Natural Products a Reservoir of Drugs for Treatment of Pulmonary Tuberculosis
GC Mugumbate, LY Bishi, F Rwere
EC Pulmonol. Respir. Med 8, 545-553, 2018
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