ChEMBL: towards direct deposition of bioassay data

David Méndez, Anna Gaulton, A. Patrícia Bento, +18

Nucleic Acids Research

Assay DetailsEngineeringBiomolecular ToolBioassay DataDatabases +21

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

Grace Mugumbate, John P. Overington

Bioorganic & Medicinal Chemistry

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

Rajni Sharma, Yassir Younis, Grace Mugumbate, +4

European Journal of Medicinal Chemistry

Medicinal ChemistryBiochemistryAntiparasitic AgentMedicineNatural Sciences +10

Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation

Grace Mugumbate, Katherine A. Abrahams, Jonathan A. G. Cox, +9

PLoS ONE

Drug TargetHit IdentificationAldo-keto ReductaseMolecular BiologyAntimicrobial Chemotherapy +21

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

María José Rebollo-López, Joël Lelièvre, Daniel Álvarez-Gómez, +21

PLoS ONE

Drug TargetStructural SimilarityPharmaceutical ChemistryDrug ResistanceMedicinal Chemistry +17

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

Grace Mugumbate, V. Mendes, Mohamad Sabbah, +7

Frontiers in Pharmacology

Novel inhibitors of Mycobacterium tuberculosis GuaB2 identified by a target based high-throughput phenotypic screen

Jonathan A. G. Cox, Grace Mugumbate, Laura Vela-Glez Del Peral, +12

Scientific Reports

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

Peggoty Mutai, Matthias Heydenreich, G.N. Thoithi, +3

Phytochemistry Letters

Molecular Docking StudiesMedicinal ChemistryAntimycobacterial EvaluationBioassay-guided IsolationMedicine +8

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

Matshawandile Tukulula, Mathew Njoroge, Grace Mugumbate, +7

Bioorganic & Medicinal Chemistry

Medicinal ChemistryAdme/pk ProfilingAntiparasitic AgentMedicinePotential Antimalarial Agents +8

Synthesis and in Vitro and in Vivo Pharmacological Evaluation of New 4-Aminoquinoline-Based Compounds

Matshawandile Tukulula, Mathew Njoroge, Efrem Abay, +12

ACS Medicinal Chemistry Letters

Pharmaceutical ScienceAntiparasitic AgentMalariaNew 4-Aminoquinoline-based CompoundsOrganic Chemistry +16