Affinity of Compounds in Hemigraphis Alternata (Burm.F.) T. Ander Leaves to Cyclooxygenase 1 (COX-1): In Silico Approach

Abstract

Inflammation is an important biological process for eradicating pathogens and maintaining tissue homeostasis. Cyclooxygenase 1 (COX-1) is one of the pharmacological targets for anti-inflammatory drugs. The purposes of this study was to predict the affinity of 23 compounds contained in Hemigraphis alternata leaves in inhibiting COX-1. The compounds of Hemigraphis alternata leaves were screened for its affinity towards COX-1 using docking software, DOCK 6.9, with aspirin as the reference. Based on the Grid score, the greatest binding affinity is referred to 3,7,11,15-tetramethyl-2-hexadecen-1-ol. It is better than affinity of aspirin to COX-1. The study showed that Hemigraphis alternata leaves contain potential active components that could be developed as COX-1-inhibitor.