Statins and C-reactive protein: in silico evidence on direct interaction.

ABSTRACT:

Introduction

Statins are known to lower CRP, and this reduction has been suggested to contribute to the established efficacy of these drugs in reducing cardiovascular events and outcomes. However, the exact mechanism underlying the CRP-lowering effect of statins remains elusive.

Methods

In order to test the possibility of direct interaction, we performed an in silico study by testing the orientation of the respective ligands (statins) and phosphorylcholine (the standard ligand of CRP) in the CRP active site using Molecular Operating Environment (MOE) software.

Results

Docking experiments showed that all statins could directly interact with CRP. Among statins, rosuvastatin had the strongest interaction with CRP (pKi = 16.14), followed by fluvastatin (pKi = 15.58

SUBMITTER: Shakour N 

PROVIDER: S-EPMC7667423 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature