In Silico study on Targeting Human C-Reactive Protein Involved in Cardiovascular Disease using Quercetin

Abstract

Cardiovascular disease is one of the leading causes of death and disability in humans. Quercetin (Que) and its analogs are found in plants naturally and have been shown to have promising bioactive effects. The relationship between “Human C-reactive protein (CRP)” and the cardiovascular system (CVD) has been extensively researched over the last several decades. Numerous studies have looked at Que's potential benefits for a wide variety of medical conditions, including diabetes, inflammation, microbial infection, arthritis, heart disease, and wound healing. In current study the binding affinity of Quercetin against the cardiovascular target protein was analyzed using molecular docking because of the significance of protein-ligand interactions in structure-based drug development. After downloading the CRP (Target Cardiovascular Protein) 3D structure from Protein Data Bank, the authors used the Autodock software to position it in its docking environment and it was reported that the binding energy of Quercetin molecule with CRP is -6.28 kcal/mol. Though more in-vitro studies are required to validate this research. The findings suggest that Quercetin may protect against cardiovascular disease and cancer.

Imprint

Prerna Upadhyaya, Alpana Joshi, Shweta Dongre In Silico study on Targeting Human C-Reactive Protein Involved in Cardiovascular Disease using Quercetin. Cardiometry; No.26 February 2023; p.322-328; DOI: 10.18137/cardiometry.2023.26.322328; Available from: https://www.cardiometry.net/issues/no26-february-2023/in-silico-study-on-targeting-human-c-reactive-protein-involved