Studi In Silico Senyawa N-(piperidin-1-ylmethyl)pyrazine-2-carboxamide dari turunan pirazinamid sebagai antituberculosis

Abstract

Tuburculosis or what is often known as TB is a direct infectious disease caused by the bacterium Mycobacterium tuberculosis. The purpose of this study was to determine the interaction of compounds from one of the pyrazinamide derivatives, namely n-(piperidine -1-ylmethyl) pyrazine -2-carboxamide against the 2WTA receptor insilico. The methods used are molecular tethering, and virtual screening.
The results of a virtual examination of the compound n- (piperidine -1-ylmethyl) pyrazine -2-carboxamide showed that the ligand n- (piperidine -1-ylmethyl) pyrazine -2-carboxamide could bind to the 2WTA receptor with a free energy value (ΔG) of -6.58 kcal/mol and a Ki value of 14.98 uM. This can indicate that the n- (piperidine -1-ylmethyl) pyrazine -2-carboxamide ligand has a better affinity and stability for the 2WTA receptor and has potential as an antituberculosis drug compared to natural ligands