Development of Robust Quantitative Structure-Activity Relationship Models for CYP2C9, CYP2D6, and CYP3A4 Catalysis and Inhibition
Eric Gonzalez, Sankalp Jain, Pranav Shah, Nao Torimoto‐Katori, Alexey Zakharov, Ðắc-Trung Nguyễn, Srilatha Sakamuru, Ruili Huang, Menghang Xia, R. Scott Obach, Cornelis E. C. A. Hop, Anton Simeonov, Xin Xu
Topics & Concepts
CYP3A4Cytochrome P450CYP2C9CYP2D6Drug metabolismEnzymeCYP2B6DrugMicrosomePharmacologyComputational biologyChemistryDrug developmentBiochemistryPharmacokineticsDrug discoveryBiologyPharmacogenetics and Drug MetabolismComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography