Article ; Online: Probe Substrate Dependencies in CYP3A4 Allosteric Inhibition: A Novel Molecular Mechanism Involving F-F' Loop Perturbations.
Journal of chemical information and modeling
2024 Volume 64, Issue 6, Page(s) 2058–2067
Abstract: The biochemical basis for substrate dependences in apparent inhibition constant values ( ...
Abstract | The biochemical basis for substrate dependences in apparent inhibition constant values ( |
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MeSH term(s) | Humans ; Cytochrome P-450 CYP3A/metabolism ; Rivaroxaban ; Allosteric Site ; Molecular Dynamics Simulation ; Testosterone/metabolism |
Chemical Substances | Cytochrome P-450 CYP3A (EC 1.14.14.1) ; Rivaroxaban (9NDF7JZ4M3) ; Testosterone (3XMK78S47O) ; CYP3A4 protein, human (EC 1.14.14.55) |
Language | English |
Publishing date | 2024-03-08 |
Publishing country | United States |
Document type | Journal Article |
ZDB-ID | 190019-5 |
ISSN | 1549-960X ; 0095-2338 |
ISSN (online) | 1549-960X |
ISSN | 0095-2338 |
DOI | 10.1021/acs.jcim.3c01837 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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