Pharmacy Reports
Vol. 1 No. 2 (2021): Pharmacy Reports

Molecular docking of gallic acid as anti-photoaging in silico

Ni Kadek Diah Parwati Dewi (Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia)
Kadek Dinda Suryadewi (Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia)
Diah Mawarni Fitriari (Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia)
Kadek Lia Andini (Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia)
Ni Putu Linda Laksmiani (Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia)



Article Info

Publish Date
04 Dec 2021

Abstract

Skin aging caused by excessive exposure to ultraviolet is known as photoaging. The mechanism underlying skin photoaging relates to collagen degradation in the extracellular matrix (ECM) by overexpression of matrix metalloproteinases-1 (MMP-1). Gallic acid is a phenolic antioxidant found in many types of plants and can be used as an anti-photoaging agent due to its antioxidant activity. This study aims to determine the potential effect of gallic acid as an anti-photoaging against MMP-1 using in silico molecular docking. The stages included gallic acid structure optimization using the HyperChem 8, preparation of protein target MMP-1 (PDB ID: 966C) using the Chimera1.10.1, validation the molecular docking protocol, and docking gallic acid on MMP-1 with the Autodock 1.5.6. The results showed that gallic acid had an affinity for MMP-1 with a binding energy of -6.0 kcal/mol. There are similar amino acid residues in hydrogen bonds between the native ligand RS2 with MMP-1 and gallic acid with MMP-1, namely ALA 182, LEU 181, and HIS 218. The results suggest that gallic acid has the potential as the anti-photoaging agent through the inhibition of the MMP-1 enzyme.

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Journal Info

Abbrev

pharmrep

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology

Description

Pharmacy Reports is an open-access journal publishing peer-reviewed research in the pharmacy field, covering topics in pharmaceutics, biomedicine, pharmaceutical chemistry, bioinformatics, natural product, pharmacology and toxicology, and clinical pharmacy. Pharmacy Reports invites you to submit ...