Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis

• Main Authors: Hung, A.W, Silvestre, H.L, Wen, S, George, G.P.C, Boland, J, Blundell, T.L, Ciulli, A, Abell, C
• Other Authors: DEPT OF CHEMISTRY
• Format: Article
• Published: 2020
• Subjects: antimycobacterial agent; bacterial enzyme; enzyme inhibitor; functional group; pantothenate synthetase; pantothenate synthetase inhibitor; unclassified drug; peptide synthase; tuberculostatic agent; Article; binding affinity; crystal structure; drug binding site; drug design; drug potency; drug protein binding; drug screening; drug structure; fragment based screening; group efficiency analysis; isothermal titration calorimetry; ligand binding; Mycobacterium tuberculosis; nonhuman; priority journal; substitution reaction; X ray crystallography; antagonists and inhibitors; chemical structure; chemistry; dose response; drug development; enzymology; metabolism; molecular model; procedures; structure activity relation; synthesis; Antitubercular Agents; Crystallography, X-Ray; Dose-Response Relationship, Drug; Drug Discovery; Enzyme Inhibitors; Models, Molecular; Molecular Structure; Peptide Synthases; Structure-Activity Relationship
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/179944
• Institution: National University of Singapore

10.1002/cmdc.201500414