Molecular docking of lutein as anti-photoaging agent in silico

Keywords: lutein, MMP-1, molecular docking, photo-aging

Abstract

The accumulation of UV exposure resulted in the loss of skin elasticity, and the appearance of wrinkles on the skin is commonly known as photoaging. Matrix metalloproteinase-1 (MMP-1) is an enzyme that degrades type I and III fibrillar collagen. This study aims to determine the mechanism of MMP-1 inhibition by lutein, a carotenoid compound with high antioxidant activity, using in silico molecular docking. This study was conducted by optimization of lutein structure using HyperChem 8, preparation of MMP-1 (PDB ID: 966C) using Chimera 1.10.1, validation of the method, and docking lutein against MMP-1 using Autodock 4.2. The results showed lutein had binding energy of -12.28 kcal/mol, lower than RS2 native ligand (-10.83 kcal/mol). The hydrogen bond formed between lutein and MMP-1 through HIS228 residue. To conclude, lutein may be developed as an anti-photoaging agent by inhibiting the MMP-1.

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Published
2021-12-31
How to Cite
Krisnayana, I. G. B., Febyani, P. D., Sari, I. A. Y. P., & Laksmiani, N. P. L. (2021). Molecular docking of lutein as anti-photoaging agent in silico. Pharmacy Reports, 1(1), 15. https://doi.org/10.51511/pr.15