Computational Docking Studies of MAPK1 Target Protein Responsible for Heart Failure Using Catechin as Natural Inhibitor

Abstract

Mitogen-activated protein kinases (MAPKs) are major thespians that have been the subject of in-depth research over the last few decades among the several intracellular signaling networks that regulate the pathophysiology and development of the heart. Heart failure is one of the most common reasons for hospitalization and is a serious public health issue. Heart failure mostly affects the elderly, and as life expectancy increases and chronic medical conditions are better managed, more people are expected to develop the condition. The thrust to investigate alternative traditional medicine has attracted much attention as there are many negative effects of the current pharmacological treatments that are being used to control the problem of heart failure. The protein's original configuration and the ligand combination both had binding energies of -5.62 kcal/mol, which may pave the way for future use of the knowledge about the responsible protein and optimization of their lead molecule for an alternative treatment for the cases of heart failure. But further research is needed, for the validation of the data in wet labs, larger trials and in-vitro studies, to establish its drug-likeliness and their applications.