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Submitted
May 10, 2020
Accepted
Sep 17, 2020
Published
Sep 30, 2020
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Abstract

Caffeic acid, a cathecol-containing phytochemical found in coffee, has been reported as a potent matrix metalloproteinase 9 (MMP9) inhibitor. The IC50 value of caffeic acid as MMP9 inhibitor could reach below 20 nM. The research presented in this article employed molecular dynamics simulations to unravel the atomic mechanism of the MMP9 inhibition by caffeic acid. Molecular dynamics simulations of MMP9 for 10 ns using YASARA-Structure were performed with and without caffeic acid as the studied ligand. The results showed that caffeic acid stabilized the stucture of the MMP9.

Keywords

Metaloproteinase matriks 9 Asam kafeat Dinamika molekul YASARA-Structure

Article Details

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.

Author Biography

Enade Perdana Istyastono, Universitas Sanata Dharma

Fakultas Farmasi, Universitas Sanata Dharma, Yogyakarta, Indonesia.

How to Cite
Istyastono, E. P. (2020). Studi Dinamika Molekul Stabilisasi Metaloproteinase Matriks 9 oleh Asam Kafeat: Molecular Dynamics Studies of Matrix Metalloprotenase-9 Stabilization by Caffeic Acid. Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) (e-Journal), 6(2). https://doi.org/10.22487/j24428744.2020.v6.i2.15131

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