Understanding Molecular Interactions Between Scavenger Receptor A and Its Natural Product Inhibitors Through Molecular Modeling Studies

Overview

Journal J Mol Graph Model

Date 2017 Sep 5

PMID 28869863

Citations 2

Authors

Piyusha P Pagare

Saheem A Zaidi

Xiaomei Zhang

Xia Li

Xiaofei Yu

Xiang-Yang Wang

Yan Zhang

Affiliations

Soon will be listed here.

Abstract

Scavenger receptor A (SRA), as an immune regulator, has been shown to play important roles in lipid metabolism, cardiovascular diseases, and pathogen recognition. Several natural product inhibitors of SRA have been studied for their potential application in modulating SRA functions. To understand the binding mode of these inhibitors on SRA, we conducted systematic molecular modeling studies in order to identify putative binding domain(s) that may be responsible for their recognition to the receptor as well as their inhibitory activity. Treatment of SRA with one of the natural product inhibitors, rhein, led to significant dissociation of SRA oligomers to its trimer and dimer forms, which further supported our hypothesis on their putative mechanism of action. Such information is believed to shed light on design of more potent inhibitors for the receptor in order to develop potential therapeutics through immune system modulation.

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