Enhancing the Fight against Malaria: From Genome to Structure and Activity of a G-Protein Coupled Receptor from the Mosquito, Anopheles Gambiae.

by Mugumbate, Grace Chitima
Published 2022

The relationship between target-class and the physicochemical properties of antibacterial drugs

by Mugumbate, Grace, Overington, John P.
Published 2022

Application of computational methods in understanding mutations in mycobacterium tuberculosis drug resistance

by Mugumbate, Grace, Nyathi, Brilliant, Zindoga, Albert, Munyuki, Gadzikano
Published 2022

ChEMBL: Towards direct deposition of bioassay data

by Mugumbate, Grace, Mendez, David, Gaulton, Anna, Bento, Patrícia
Published 2022

Enabling Technologies to Facilitate Natural Product-Based Drug Discovery from African Biodiversity

by Chigorimbo-Murefu, Nyaradzo T. L., Mugumbate, Grace, Chibale, Kelly
Published 2022

Chemical space and Chemical diversity profiling of drug-like compounds from African natural product databases for Fragment based-drug discovery: Biodiversity for Malawi 2063: Resea...

by Bvunzawabaya, Jonathan T, Mtewa, Andrew, Lampiao, Fanuel, Mugumbate, Grace
Published 2022

Structural studies of adipokinetic hormones in water and DPC micelle solution using NMR distance restrained molecular dynamics

by Jackson, Graham E., Gamieldien, Riedaa, Mugumbate, Grace, Gäde, Gerd
Published 2022

In Silico Study of Cucurbita maxima Compounds as Potential Therapeutics Against Schistosomiasis

by Mtemeli, Floryn Lynorah, Shoko, Ryman, Ndlovu, Joice, Mugumbate, Grace
Published 2022

Membrane simulation of the adipokinetic hormone from the malaria mosquito: 42nd IUPAC Congress, Glasgow, Scotland, 2 – 7 August 2009

by Mugumbate, Grace, Jackson, Graham E., van der Spoel, David
Published 2022

TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species

by Malhotra, Sony, Mugumbate, Grace, Blundel, Tom L, Higueruelo, Alicia P
Published 2022

Computational Deorphaning of Mycobacterium tuberculosis Targets

by Bishi, Lorraine Yamurai, Vedithi, Sundeep Chaitanya, Blundell, Tom L., Mugumbate, Grace Chitima
Published 2022

In silico comparison of antimycobacterial natural products with known antituberculosis drugs

by Espinoza-Moraga, Marlene, Njuguna, Nicholas M, Mugumbate, Grace, Caballero, Julio, Chibale, Kelly
Published 2022

3-Hydroxyisoflavanones from the stem bark of Dalbergia melanoxylon: Isolation, antimycobacterial evaluation and molecular docking studies

by Mutai, Peggoty, Heydenreich, Matthias, Thoithi, Grace, Mugumbate, Grace, Chibale, Kelly, Abiy Yenesew, Abiy
Published 2022

Anopheles gambiae, Anoga-HrTH hormone, free and bound structure – A nuclear magnetic resonance experiment

by Mugumbate, Grace, Jackson, Graham E., van der Spoel, David, Kövér, Katalin E., Szilágyi, László
Published 2022

Natural Products: A Potential Source of Malaria Transmission Blocking Drugs?

by Mugumbate, Grace, Moyo, Phanankosi, Elof, Jacobus N., Louw, Abraham I., Maharaj, Vinesh J., Birkholtz, Lyn-Marié
Published 2022

Novel anti-Plasmodial hits identified by virtual screening of the ZINC database

by Mugumbate, Grace, Newton, Ana S., Rosenthal, Philip J., Gut, Jiri, Moreira, Rui, Chibale, Kelly, Guedes, Rita C.
Published 2022

Synthesis and structure-activity-relationship studies of thiazolidinediones as antiplasmodial inhibitors of the Plasmodium falciparum cysteine protease falcipain-2

by Sharma, Rajni Kant, Younis, Yassir, Mugumbate, Grace, Njoroge, Mathew, Gut, Jiri, Rosenthal, Philip J, Chibale, Kelly
Published 2022

Synthesis, stereochemistry and in vitro STD NMR and in silico HIV-1 PR enzyme-binding potential of MBH-derived inhibitors

by Tukulula, Matshawandile, Olasupo, Idris A., Mugumbate, Grace C., Lobb, Kevin A., Klein, Rosalyn, Sayed, Yasien, Tshiwawa, Tendamudzimu, Kaye, Perry T.
Published 2022

Tetrazole-based deoxyamodiaquines: Synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents

by Tukulula, Matshawandile, Njoroge, Mathew, Mugumbate, Grace C., Gut, Jiri, Rosenthal, Philip J., Barteau, Samuel, Streckfuss, Judith, Heudi, Olivier, Kameni-Tcheudji, Jacques, Chibale, Kelly
Published 2022

Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach

by Mugumbate, Grace, Mendes, Vitor, Blaszczyk, Michal, Sabbah, Mohamad, Papadatos, George, Lelievre, Joel, Ballell, Lluis, Barros, David, Abell, Chris, Blundell, Tom L., Overington, John P.
Published 2022