The potency of pinostrobin and pinocembrin as antiphotoaging agents: in silico study
Photoaging occurs when the skin ages due to ultraviolet light exposure. Phenolic compounds generally possess antioxidant activity, which helps prevent the formation of free radicals caused by sunlight exposure. This study explores the potential of pinostrobin and pinocembrin as antiphotoaging agents through molecular docking against matrix metalloproteinases (MMPs): MMP-1, MMP-3, and MMP-9. We utilized Hyperchem 8 to prepare and optimize the test compound and Chimera 1.11.1 for protein preparation. Validation and docking procedures were conducted using the AutoDockTools 1.5.6 application, with validation confirming that the method was valid with an RMSD value ≤ 3 Å. Both pinostrobin and pinocembrin exhibited an affinity for the target protein, although their affinity was slightly less than that of the native ligand and retinol. In conclusion, pinostrobin and pinocembrin demonstrate an affinity for MMP-1, MMP-3, and MMP-9, indicating their potential as anti-photoaging agents by obstructing the mechanisms of MMP-1, MMP-3, and MMP-9.
Gromkowska-Kępka KJ, Puścion-Jakubik A, Markiewicz-Żukowska R, Socha K. The impact of ultraviolet radiation on skin photoaging - review of in vitro studies. J Cosmet Dermatol. 2021;20: 3427-3431. https://doi.org/10.1111/jocd.14033
Papaccio F, D Arino A, Caputo S, Bellei B. Focus on the contribution of oxidative stress in skin aging. Antioxidants (Basel). 2022;11. https://doi.org/10.3390/antiox11061121
Kim SR, Jung YR, An HJ, Kim DH, Jang EJ, Choi YJ, et al. Anti-wrinkle and anti-inflammatory effects of active garlic components and the inhibition of MMPs via NF-κB signaling. PLoS One. 2013;8: e73877. https://doi.org/10.1371/journal.pone.0073877
Xu W, Lu H, Yuan Y, Deng Z, Zheng L, Li H. The Antioxidant and Anti-Inflammatory Effects of Flavonoids from Propolis via Nrf2 and NF-κB Pathways. Foods. 2022;11. https://doi.org/10.3390/foods11162439
Dastmalchi S, Hamzeh-Mivehroud M, Sokouti B, editors. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery. IGI Global; 2016. https://doi.org/10.4018/978-1-5225-0115-2
Jain AN, Nicholls A. Recommendations for evaluation of computational methods. J Comput Aided Mol Des. 2008;22: 133-139. https://doi.org/10.1007/s10822-008-9196-5
Huš M, Urbic T. Strength of hydrogen bonds of water depends on local environment. J Chem Phys. 2012;136: 144305. https://doi.org/10.1063/1.3701616
Krisnayana IGB, Febyani PD, Sari IAYP, Laksmiani NPL. Molecular docking of lutein as anti-photoaging agent in silico. PharmRep. 2021;1: 15. https://doi.org/10.51511/pr.15
Copyright (c) 2023 Authors
This work is licensed under a Creative Commons Attribution 4.0 International License.