Berkala Ilmiah Kimia Farmasi
Vol. 10 No. 1 (2023): June

Molecular Docking Study of Ferulic Acid Analog Compounds as Lung Antifibrotic at TGF-β1 Receptors

Pebrianti, Denayu (Unknown)
Ekowati, Juni (Unknown)
Ainurrizma, Dhea Ananda (Unknown)



Article Info

Publish Date
30 Jun 2023

Abstract

Pulmonary fibrosis was one of the conditions that occurred in Post-COVID Syndrome patients. Development of specific treatment as an agent to treat pulmonary fibrosis was still ongoing. Ferulic acid was a compound that had a potential lung antifibrotic agent through the inhibition of TGF-β1-mediated signaling. Molecular docking studies using the AutoDock Tools program version 1.5.7 were conducted on ferulic acid and its analogs to determine the activity of compounds as antifibrotic. Furthermore, the interaction of the compounds with the receptor was visualized using the Discovery Studio 2021 program. The results showed that ferulic acid and its analogs had lower free energy than Pirfenidone, which was a standard lung antifibrotic drug. 4-Benzoyloxy-3-methoxycinnamic acid was the compound that had the greatest activity. The group that contributed to the ligand-receptor interaction was the aromatic group with π interaction. Keywords:  Molecular Docking, AutoDock, Antifibrotic, TGF-β1, Ferulic Acid

Copyrights © 2023






Journal Info

Abbrev

BIKFAR

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Medicine & Pharmacology

Description

to facilitate interaction, discussion, and updating of research ideas in the fields of pharmacy, Pharmaceutical Chemistry, Medicinal Chemistry, Drug Development, Organic synthesis, Analytical chemistry, Pharmaceutical Technology, Pharmaceutical Microbiology and Biotechnology, Pharmacology and ...