A Unified Proteochemometric Model for Prediction of Inhibition of Cytochrome P450 Isoforms

• Main Authors: Maris Lapins, Apilak Worachartcheewan, Ola Spjuth, Valentin Georgiev, Virapong Prachayasittikul, Chanin Nantasenamat, Jarl E S Wikberg
• Other Authors: Uppsala Universitet
• Format: Article
• Published: 2018
• Subjects: Agricultural and Biological Sciences; Biochemistry, Genetics and Molecular Biology; Medicine
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/31015
• Institution: Mahidol University

A unified proteochemometric (PCM) model for the prediction of the ability of drug-like chemicals to inhibit five major drug metabolizing CYP isoforms (i.e. CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4) was created and made publicly available under the Bioclipse Decision Support open source system at w...