Abstract
Inflammation was signs of pathological or abnormality in tissue to give an alert as a trouble signal to the system. Therapeutic using NSAIDs has some side effects. This research explored the potential role of chlorogenic acid as natural therapeutic compound to inhibit the inflammation target such as COX-2 by interaction model. The research method used in this study was the molecular docking approach, which binds ligand and protein. Protein data provided by Protein Data Bank (ID: 6cox) while, chlorogenic acid obtain from PubChem (CID: 1794427). We docked COX-2 and chlorogenic acid using Hex 8.0.0. Visualization and analysis of the molecular interactions of chlorogenic acid and COX-2 conducted by the Discovery Studio Client 4.1 software. Chlorogenic acid has a high permeability and is easily absorbed based on five Lipinski Rule. Interestingly, we found Fifteen amino acid was binding with chlorogenic acid that formed by hydrogen bond and van der Waals.The interaction between ligand-protein results in energy binding -327.59cal/mol. Chlorogenic acid has a potential role to inhibit inflammation pathway by inhibiting COX-2. We predicted chlorogenic acid has a potential as therapy anti-inflammatory to suppress COX-2 as mediator inflammation.
Highlights
Inflammation is a physiological response to abnormal conditions in the body
We analyze and investigate the potential of chlorogenic acid as anti-inflammatory agents by inhibiting COX-2 roles used in silico approach
The chlorogenic acid has an affinity with the activator side of COX-2 in amino acid residues, which bind with a hydrogen bond
Summary
Inflammation is a physiological response to abnormal conditions in the body. COX-2 has a function of initiation and maintenance during inflammation abnormal physiological conditions. These Cyclooxygenase-2 regulations by stimulating the production of prostacyclin (PGI2), preventing platelet aggregation (Al-Saeed, 2011; Knights et al, 2010). Caffeic acid has functions inhibitor COX-2 (Bare et al, 2019a) and chlorogenic acid. Shi et al, (2013) reported chlorogenic acid has potentially associated with various inflammatory response inhibition by in vitro study in case of reduces liver inflammation and fibrosis. We analyze and investigate the potential of chlorogenic acid as anti-inflammatory agents by inhibiting COX-2 roles used in silico approach
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