Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening.

ABSTRACT:

Abstract

Neuropathic pain and inflammatory pain are two common types of pathological pain in human health problems. To date, normal painkillers are only partially effective in treating such pain, leading to a tremendous demand to develop new chemical entities to combat pain and inflammation. A promising pharmacological treatment is to control signal transduction via the inflammatory mediator-coupled receptor protein C5aR by finding antagonists to inhibit C5aR activation. Here, we report the first computational study on the identification of non-peptide natural compound inhibitors for C5aR by homology modeling and virtual screening. Our study revealed a novel natural compound inhibitor Acteoside with better docking scores than all four existing non-peptidic natural compounds. The MM

SUBMITTER: Shaikh F 

PROVIDER: S-EPMC4958400 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature