Evaluation Of The Quercetin Semisynthetic Derivatives Interaction With Breast Cancer Resistance Protein
A.E. Manukyan, Ashkhen A. Hovhannisyan · bioRxiv (Cold Spring Harbor Laboratory) · 2020
Abstract Breast cancer resistance protein (BCRP, ABCG2) is one of the ATP binding cassette (ABC) transporter proteins which involved in multi-drug resistance of cancer therapy. BCRP is expressed in various types of human cancer and inhibiting can be a solution to overcome multidrug resistance. Significant effort has been devoted to develop treatment strategies to overcome BCRP-mediated resistance. In addition, BCRP is expressed also in many normal tissues and plays an important role in drug absorption, distribution, and elimination. In order to design an effective cancer treatment strategy, a lot of flavones and their derivatives are used as anticancer drug compounds. One of the most promising flavonols is quercetin and quercetin semisynthetic derivatives which can inhibit the expression of BCRP. Highlights Virtual screening using multiple docking program for consensus predictions. Virtual screening of the quercetin derivatives as potential inhibitors of BCRP. Selected derivatives bind to the main amino acids of proteins. Selected derivatives meet the criteria necessary for their consideration as drugs.