In Potential Siliko Simulation of Clorogenic Acid in Coffea canephora to Transfering Macrophage Polarization of M1 in Tuberculosis Infection

Abstract

The aim of this study to determine the potential of Coffea canephora by using chlorogenic acid (CGA)

compound associated with macrophages polarization in tuberculosis condition. Exploration of compound

by using the Knapsack database and Dr. Duke. Analysis of CGA by using a PASS server with the results

ranged score 0-1 probability to be active score. Molecular binding docking receptor and ligand were used

Autodock PyrXv9.5 and interactions between molecules using CLUSPRO 2.2. Potential activities of CGA

compounds was 3,5-dicaffeoylquinic acid, feruloylquinic acid, and p-coumaroylquinic acid with Pa value

close to 1, this indicates that the accuracy of prediction of antioxidant activity was quite high. The results of

docking through the attachment pathway of several amino acids showed the potential for side methylation

activity ‘which is able to reduced DNMT1 activity thereby suppressing the anti-inflammatory process.

Protein interactions based on affinity values were higher among DNMT1 and STAT1 bonds compared to

STAT6. The results of the study concluded that the active compound in Coffea canephora was involved in

the function of the immune system and it related to the inflammatory process. It is triggers the delivery of

antimicrobial cytokine signals and increased antioxidant, it is very necessary in healing tuberculosis disease

process.