In Silico Study of Rutin with Rho-Associated Protein Kinase (ROCK) for the Treatment of Cardiovascular Disease

Abstract

Cardiovascular disease (CVD) is a collection of illnesses that affect the heart or blood vessels. It is usually linked to atherosclerosis, a buildup of fatty deposits within the arteries that raises the risk of the blood clots. According to estimations, 17.9 million people worldwide died from CVDs in 2019, accounting for 32% of all fatalities. CVDs are one of the top causes of the mortality in the globe. The study of alternative traditional medicine has regained all attention because the current medication therapies being utilized to manage CVD have several negative effects. Therefore, it is necessary to investigate alternative medicine, such as herbal sources. In order to conduct the study, a docking method between the target structure, the “Rho-Associated Protein Kinase” (ROCK) kinase, or the selected phytocompound, Rutin, was carried out using computer analysis. The complex was visualized to examine the interaction and evaluate its potential for use as a CVD. Author can observe that the complex that was created was unstable based on the results of the binding energy research between the ligand Rutin and the protein/ receptor (ROCK) kinase Converting Enzyme. The binding energy of this molecule is -4.26 kcal/mol, which is unstable.