Molecular Docking Study of Cox-2 Target Protein with Terminic acid and its Role for Myocardial Infarction

Abstract

Myocardial infarction occurs when the oxygen supply to the heart muscle is insufficient in one or more places. Its management becomes costly in the developing world cause of expensive medicine. Apart from that, the side effects of the treatment used to treat myocardial infarction are also unintended side effects which further stress the need to explore alternative medicine. Therefore, this research aims to find the putative inhibitor from a botanical source against the target protein of myocardial infarction. To conduct the research, computer analysis was used to undertake a docking procedure between the target structure, the Cox-2, and the chosen phytocompound, Terminic acid. Following the determination of the affinity, the complex was visualized to examine the interaction and assess its potential for usage as a Myocardial Infarction preventative. The initial posture of the protein, as well as the ligand combination, showed binding energy of -7.79 kcal/mol which may further open the way for its application in the treatment Myocardial Infarction of in the future. To determine its drug-likeliness, however, more study, such as in-vitro investigations and bigger trials, is required.

Imprint

Diwakar Chauhan, Swagatam Sahoo, Nabeel Ahmad. Molecular Docking Study of Cox-2 Target Protein with Terminic acid and its Role for Myocardial Infarction. Cardiometry; Issue 24; November 2022; p.1040-1045; DOI: 10.18137/cardiometry.2022.24.10401045; Available from: https://www.cardiometry.net/issues/no24-november-2022/molecular-docking-study