Molecular Docking of Gnetin C and Transresveratrol of Melinjo Seeds (Gnetum Gnemon L.) Used as the Inhibitors of Breast Cancer Cells MCF-7

Kintan Nur Romadhona, Nenden Aulia Shifa and Asmiyenti Djaliasrin Djalil
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Kintan Nur Romadhona: Universitas Muhammadiyah Purwokerto, Purwokerto, Indonesia
Nenden Aulia Shifa: Universitas Muhammadiyah Purwokerto, Purwokerto, Indonesia
Asmiyenti Djaliasrin Djalil: Universitas Muhammadiyah Purwokerto, Purwokerto, Indonesia

International Journal of Health and Medical Sciences, 2018, vol. 4, issue 3, 58-63

Abstract: Breast cancer is a cancer caused by uncontrolled cell growth in breast tissue. In this research, molecular docking has been studied to predict binding affinity of Gnetin C dan trans-resveratrol as active compunds of melinjo seeds to inhibit breast cancer cells Michigan Cancer Fondation-7 (MCF-7). Molecular docking was performed by autodock-vina. The result indicated that Gnetin C and tans-reserveratrol can bind the same amino acid as natural ligan of MCF-7 such as VAL 54B, VAL54B, TYR 55B, TYR 216B, TRP 227B, LEU 306B, LEU 306B, and LEU 306B. Binding affinity of Gnetin C and transresveratrol was -6. and -7.9 respectively, while the natural ligan was -10.0. It means Gnetin C and trans-reserveratrol can bind the protein acid of MCF-7 although the docking energy was lower than the natural ligan. Based on this research, Gnetin C and trans-reserveratrol are potential as anticancer and chemoprevention because they can inhibit some amino acid of cancer cells MCF-7.

Keywords: Breast cancer; molecular docking; gnetin C; trans-resveratrol; amino acid of breast cancer cells MCF-7 (search for similar items in EconPapers)
Date: 2018
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Persistent link: https://EconPapers.repec.org/RePEc:apa:ijhmss:2018:p:58-63

DOI: 10.20469/ijhms.4.30001-3

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