Chlorogenic acid and kojic acid as anti-hyperpigmentation: in silico study

I Made Agus  Yudantara; Ni Ketut Nitya  Cahyani; Made Agus Widiana Saputra; Ni Kadek Diah Parwati Dewi

doi:10.51511/pr.23

I Made Agus Yudantara Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia https://orcid.org/0000-0002-4411-3512
Ni Ketut Nitya Cahyani Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia https://orcid.org/0000-0002-3699-2473
Made Agus Widiana Saputra Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia https://orcid.org/0000-0003-2090-5395
Ni Kadek Diah Parwati Dewi Departement of Pharmacy, Faculty of Mathematics and Natural Science, Udayana University, Bali 80361, Indonesia https://orcid.org/0000-0001-5231-3541

Keywords: anti-hyperpigmentation, chlorogenic acid, kojic acid, molecular docking, tyrosinase

Abstract

Hyperpigmentation is a skin problem caused by excessive melanin production due to continuous ultraviolet (UV) radiation. Kojic acid inhibiting melanin synthesis by tyrosinase enzyme is a prevalent treatment for hyperpigmentation. This study aims to determine the potential of chlorogenic acid and kojic acid as an anti-hyperpigmentation against tyrosinase using in silico molecular docking. The docking process involved optimizing chlorogenic acid and kojic acid structures, preparing tyrosinase protein (PDB ID: 5M8O), validating the molecular docking method, and docking of chlorogenic acid and kojic acid on tyrosinase. The binding energy of chlorogenic acid and kojic acid were -4.59 kcal/mol and -3.75 kcal/mol, while the binding energy of 0TR native ligand was -5.02 kcal/mol. The interaction of chlorogenic acid to tyrosinase involved ARG 321 and ARG 374 residues. The results suggest that chlorogenic acid and kojic acid has the potential as anti-hyperpigmentation agents through inhibition of the tyrosinase enzyme.

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