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All Journal VALENSI ALCHEMY Jurnal Penelitian Kimia
Tri Mayanti
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, Jatinangor 45363, Sumedang, Indonesia
Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Environmental Science Materials Science & Nanotechnology

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Molecular Docking on Kokosanolide A and C for Anticancer Activity Against Human Breast Cancer Cell MCF-7 Sri Purwani; Julita Nahar; Zulfikar Zulfikar; Nurlelasari Nurlelasari; Tri Mayanti
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 7, No. 1, May 2021
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v7i1.20534

Abstract

Kokosanolide A (1), from the seeds of Lansium domesticum Corr. cv Kokossan, has been shown strong cytotoxic activities (IC50 = 8.62 μg/mL) against MCF-7 breast cancer cells. The aim of this work was to study the molecular interactions of kokosanolide A and kokosanolide C with the Estrogen Receptor α (ERα) using computer-aided drug design approaches. Molecular docking using Autodock Vina (open-source software PyRx 0.8) was employed to explore the modes of binding of kokosanolide A (1) and kokosanolide C (2) with ERα. Compounds 1 and 2 showed strong bond-free energy (-8.8 kcal/mol and -8.7 kcal/mol) to ERα. These two compounds have a molecular mechanism to inhibit ERα in breast cancer cells.
Steroids from The Stem Bark of Dysoxylum nutans (Meliaceae) and Their Cytotoxic Effect Against MCF-7 Breast Cancer Cell Lines Tri Mayanti; Nur Insani Amir; Dewa Gede Katja; Sofa Fajriah; Ahmad Darmawan; Unang Supratman; Khlaijah Awang; Yoshihito Shiono
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 6, No. 2, November 2020
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v6i2.15976

Abstract

Three steroids, 3α-hydroxystigmast-5(6), 22-diene-7-one (1), stigmasterol (2) and 3-hydroxy-7β-methoxystigmast-5(6)-ene (3), were isolated from the stem bark of Dysoxylum nutans. The chemical structures were identified by spectroscopic data, which includes IR, 1D-NMR, 2D-NMR, and HR-TOFMS as well as by comparing previously reported spectral data. Compounds 1-3 were tested for cytotoxic effect against MCF-7 breast cancer cell lines and compound 1 showed the strongest cytotoxic activity with an IC50 value of 20.13 ± 0.06 μM.
Co-Authors Ahmad Darmawan Alya Tsamrotul Darwati Darwati Dewa Gede Katja Julita Nahar, Julita Kansy Haikal Khlaijah Awang Nur Insani Amir Nurlelasari Nurlelasari Sofa Fajriah Sri Purwani Tati Herlina Unang Supratman Yoshihito Shiono Zulfikar Zulfikar