{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,21]],"date-time":"2025-11-21T00:54:55Z","timestamp":1763686495529,"version":"3.30.1"},"reference-count":23,"publisher":"Medknow","issue":"3","content-domain":{"domain":["lww.com","ovid.com"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2021,7]]},"abstract":"\n \n The estrogen hormone dependent accounts for a major cause in the incidence of women breast cancer. Thus, their receptor, especially the estrogen receptor \u03b1 (ER-\u03b1), is becoming a target in endocrine treatment. These ligand-inducible nuclear functions are regulated by an array of phytochemical and synthetic compounds, such as 17 \u03b2-estradiol and tamoxifen (4-hydroxytamoxifen [4OHT]). The Chinaberry (Melia azedarach<\/jats:italic>) leaves are known naturally for relieving internal and external diseases. Previous studies revealed the potency of Melia<\/jats:italic>'s ethanolic extract and ethyl acetate fractions as anticancer; furthermore, this study aimed to resolve possible ER-\u03b1 antagonist's mechanism and safety from M. azedarach<\/jats:italic> leaves ethyl acetate fraction contents. Melia<\/jats:italic>'s phytochemical content was analyzed with electrospray ionization liquid chromatography-mass spectrometry, while its ER-\u03b1 antagonist's potency was investigated by in silico<\/jats:italic>. The computational docking was used to 3ERT (a human ER-\u03b1-4OHT binding domain complex) with Autodock Vina and related programs. The results presented Energy binding (\u0394G) of Melia<\/jats:italic>'s quercetin 3-O<\/jats:italic>-(2'',6''-digalloyl)-\u03b2-D<\/jats:italic>-galactopyranoside was similar to 4OHT, and lower than its agonist 17 \u03b2-estradiol. Furthermore, the toxicity prediction of these compounds were revealed safer than 4OHT. The Melia<\/jats:italic>'s leaves ethyl acetate fraction, therefore, is a potential pharmacological material for further studies.<\/jats:p>\n <\/jats:sec>","DOI":"10.4103\/japtr.japtr_198_21","type":"journal-article","created":{"date-parts":[[2024,5,27]],"date-time":"2024-05-27T15:53:06Z","timestamp":1716825186000},"page":"236-241","update-policy":"https:\/\/doi.org\/10.1097\/lww.0000000000001000","source":"Crossref","is-referenced-by-count":13,"title":["In silico estrogen receptor alpha antagonist studies and toxicity prediction of Melia azedarach leaves bioactive ethyl acetate fraction"],"prefix":"10.4103","volume":"12","author":[{"given":"Martha","family":"Ervina","sequence":"first","affiliation":[]},{"given":"Mohammad Rizki 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