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All Journal Indonesian Journal of Cancer Chemoprevention
Sunani Sunani
Padjadjaran University
Biochemistry, Genetics & Molecular Biology Medicine & Pharmacology

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In Silico Study of Compounds in Bawang Dayak (Eleutherine palmifolia (L) Merr.) Bulbs on Alpha Estrogen Receptors Sunani Sunani; Maya Andani; Asilla Mauri Ramdini Kamaludin; Nyai Ayu Sylfia Stannia Puspitasari Helmi; Kaila Keyshia Mei; Yunitasya Guspira; Oktavia Sabetta; Diah Lia Aulifa
Indonesian Journal of Cancer Chemoprevention Vol 13, No 2 (2022)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev13iss2pp83-93

Abstract

Breast cancer is an uncontrolled malignancy of the breast that originates from glandular cells, gland ducts, and the supporting tissues of the breast. The development of herbal-based anticancer drugs is progressing, one of which is derived from the natural ingredients of Eleutherine palmifolia tubers. The aim of this study was to determine the activity of compounds derived from Eleutherine palmifolia tubers on the alpha-estrogen receptor (ERα) using an in silico study. The crystal structure of the enzyme used was 3ERT which was obtained from the Protein Data Bank (PDB). The applications used in this journal are Chem3D (initial preparation of ligands and receptors), AutoDock4 (redocking and calculation of root mean square deviation (RSMD)), and Biovia (visualization of redocking results). Tamoxifen was used as a reference ligand. Based on the results of the in silico study, the best compound that has the potential to be developed as a candidate for anticancer drug is Eleutherine because the results of the in silico test on Eleutherine have a value of G=-7.56 kkal/mol and the smallest KI=2.89 nM, so it can be concluded that eleutherine is one of potential drug candidate for anti cancer.Keywords: Breast cancer, eleutherine, estrogen receptor α.
Co-Authors Asilla Mauri Ramdini Kamaludin Diah Lia Aulifa Kaila Keyshia Mei Maya Andani Nyai Ayu Sylfia Stannia Puspitasari Helmi Oktavia Sabetta Yunitasya Guspira