Insight into the molecular mechanism of P-glycoprotein mediated drug toxicity induced by bioflavonoids: an integrated computational approach

• Main Authors: Pathomwat Wongrattanakamon, Vannajan Sanghiran Lee, Piyarat Nimmanpipug, Busaban Sirithunyalug, Sunee Chansakaow, Supat Jiranusornkul
• Format: Journal
• Published: 2018
• Subjects: Environmental Science; Pharmacology, Toxicology and Pharmaceutics
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85013074771&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/57402
• Institution: Chiang Mai University

© 2017 Informa UK Limited, trading as Taylor & Francis Group. In this work, molecular docking, pharmacophore modeling and molecular dynamics (MD) simulation were rendered for the mouse P-glycoprotein (P-gp) (code: 4Q9H) and bioflavonoids; amorphigenin, chrysin, epigallocatechin, formononetin a...