Publications

2014

The ChEMBL bioactivity database: an update.
Bento AP, Gaulton A, Hersey A, Bellis LJ, Chambers J, Davies M, Krüger FA, Light Y, Mak L, McGlinchey S, Nowotka M, Papadatos G, Santos R, Overington JP.
Nucleic Acids Res Volume 42 (2014) p.d1083-90

Structural studies of adipokinetic hormones in water and DPC micelle solution using NMR distance restrained molecular dynamics.
Jackson GE, Gamieldien R, Mugumbate G, Gäde G.
Peptides Volume 53 (2014) p.270-277

2013

Novel anti-plasmodial hits identified by virtual screening of the ZINC database.
Mugumbate G, Newton AS, Rosenthal PJ, Gut J, Moreira R, Chibale K, Guedes RC.
J Comput Aided Mol Des Volume 27 (2013) p.859-871

Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents.
Tukulula M, Njoroge M, Mugumbate GC, Gut J, Rosenthal PJ, Barteau S, Streckfuss J, Heudi O, Kameni-Tcheudji J, Chibale K.
Bioorg Med Chem Volume 21 (2013) p.4904-4913

Anopheles gambiae, Anoga-HrTH hormone, free and bound structure--a nuclear magnetic resonance experiment.
Mugumbate G, Jackson GE, van der Spoel D, Kövér KE, Szilágyi L.
Peptides Volume 41 (2013) p.94-100

Drug metabolite generation using a laboratory evolved NADPH independent cytochrome P450: application of in vitro and in silico approaches.
Chigorimbo-Murefu NT, Njoroge M, Louw S, Mugumbate G, Chibale K.
Drug Metab Lett Volume 7 (2013) p.68-77