title: Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity.
authors.affiliation: Catalysis and Peptide Research Unit and ‡School of Health Sciences, University of KwaZulu Natal , Durban 4001, South Africa.
authors.forename: Bahareh
authors.initials: B
authors.lastname: Honarparvar
authors.forename: Thavendran
authors.initials: T
authors.lastname: Govender
authors.forename: Glenn E M
authors.initials: GE
authors.lastname: Maguire
authors.forename: Mahmoud E S
authors.initials: ME
authors.lastname: Soliman
authors.forename: Hendrik G
authors.initials: HG
authors.lastname: Kruger
mesh_terms: D019380:Anti-HIV Agents / Q000737:chemistry / Q000378:metabolism / Q000627:therapeutic use; D000970:Antineoplastic Agents / Q000737:chemistry / Q000378:metabolism / Q000627:therapeutic use; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000378:metabolism; D004798:Enzymes / Q000737:chemistry* / Q000378:metabolism; D015658:HIV Infections / Q000188:drug therapy / Q000201:enzymology / Q000473:pathology; D006801:Humans; D062105:Molecular Docking Simulation; D009369:Neoplasms / Q000188:drug therapy / Q000201:enzymology / Q000473:pathology; D019906:Nuclear Magnetic Resonance, Biomolecular; D021281:Quantitative Structure-Activity Relationship; D013816:Thermodynamics
chemical_list: D019380:Anti-HIV Agents; D000970:Antineoplastic Agents; D004791:Enzyme Inhibitors; D004798:Enzymes