Molecular Docking of Isorhamnetin as CYP1A1 Inhibitor in Skin Photoaging

DOI

10.2991/icoh-17.2018.60How to use a DOI?

Keywords

photoaging, AP-1, isorhamnetin, CYP1A1, molecular docking

Abstract

Skin aging is the aging process of skin tissue due to elastin and collagen breakdown. Collagen and elastin are protein of connective tissue in skin dermis that serves to regenerate the skin for firmness and flexibility maintained. Sunlight is composed by three main parts according to their wavelengths, namely UVA, UVB, and UVC where the intensity of UVB sunlight is most active. UVB generates the production superoxide anion (O2-) which is main free radical in the skin surface. It attacked the cell membrane and subsequently form a new ROS and decrease antioxidants enzymatic excesively. Excessive ROS production resulting overexpression of AP-1 which activated Matrix metalloproteinases lead to collagen breakdown and photoaging. This paper discusses the affinity and interaction of isorhamnetin to CYP1A1 (PDB code: 4i8v) causing inactivation of AP-1 using molecular docking program. CYP1A1 is protein member of cytochrome P450 superfamily of enzymes encoded by the CYP1A1 gene. Cytochrome P450 used as oxidazing catalist in metabolic pathways steroids, fatty acids, xenobiotics, including drugs, toxins and carcinogens. This study consist of two stages: (1) isorhamnetin-CYP1A1 docking and -naphthoflavone-CYP1A1 redocking (2) G scores, inhibitory constant, and bonding interaction between ligan-reseptor. Gibbs energy ( G) and inhibitory constant (Ki) showed stability interaction between isorhamnetin and CYP1A1. Based on the G score, isorhamnetin has higher potential as CYP1A1 inhibitor than -naphthoflavone. Isorhamnetin-CYP1A1 get -10,3 kcal/mol and 11,34 æM and -naphthoflavone get -9,1 kcal/mol and 228,4 æM. Isorhamnetin-CYP1A1 binded by 4 bonding and 2 hydrogen bonding. The result presented the potential of isorhamnetin to decreased AP-1 expressioan through CYP1A1 inhibition.

Copyright

© 2018, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Izzatul Lailiyah
AU  - Aulanni'am Aulanni'am
AU  - Sasangka Prasetyawan
PY  - 2017/07
DA  - 2017/07
TI  - Molecular Docking of Isorhamnetin as CYP1A1 Inhibitor in Skin Photoaging
BT  - Proceedings of the 1st International Conference in One Health (ICOH 2017)
PB  - Atlantis Press
SP  - 299
EP  - 302
SN  - 2468-5739
UR  - https://doi.org/10.2991/icoh-17.2018.60
DO  - 10.2991/icoh-17.2018.60
ID  - Lailiyah2017/07
ER  -