Demystifying Functional Parameters for Irreversible Enzyme Inhibitors

2024/08/08 by David E. Heppner, Blessing C. Ogboo, Daniel A. Urul +5 · 1 voice · 2 citations
Computer Science · Engineering · #Computational Drug Discovery Methods #Innovative Microfluidic and Catalytic Techniques Innovation #Molecular Junctions and Nanostructures

paper · pdf · doi:10.1021/acs.jmedchem.4c01721

crossref issued 2024/08/08 · crossref published 2024/08/08 · crossref published-online 2024/08/08 · openalex publication_date 2024/08/08 · crossref created 2024/08/08 · crossref published-print 2024/09/12 · crossref deposited 2024/09/12 · openalex created_date 2025/10/10 · crossref indexed 2026/07/29 · openalex updated_date 2026/07/30

Citations

• Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction
• Advances in covalent drug discovery

Cited by

• Tilting the Scales toward EGFR Mutant Selectivity: Expanding the Scope of Bivalent “Type V” Kinase Inhibitors
• Structure-guided design of potent and selective covalent inhibitors of SARS-CoV-1 and SARS-CoV-2 papain-like proteases with antiviral activity

Discussions

• Heppner et al (2024) Demystifying Functional Parameters for Irreversible Enzyme Inhibitors. J Med Chem Editorial #biochem #MedChem #DrugDesign #DrugDiscovery #cheminformatics #FreeToRead #chemsky 🧪 [bsky, 3 points, 0 comments]