{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T05:17:47Z","timestamp":1790659067233,"version":"4.1.0"},"reference-count":0,"publisher":"Biomedical Informatics","issue":"8","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Bioinformation"],"published-print":{"date-parts":[[2022,8,31]]},"abstract":"<jats:p>Breast cancer (BC) is linked to estrogen receptor alpha (ER-\u03b1) positive. Tamoxifen and other estrogen selective modulators have proven to be beneficial in slowing the progression of ER-\u03b1 BC. However, tamoxifen resistance emerges as a result of long-term treatment and cancer development. Therefore, it is of interest to document data on the molecular docking analysis of phytochemicals targeting with Estrogen Receptor-alpha. The screening of the phytochemicals from the ZINC database (a total of 87133 compounds) against ER-\u03b1 protein was completed. We show that ZINC69481841 and ZINC95486083bind strongly to ER- with binding energies of 10.47 and 11.88 Kcal\/mol, respectively, which were significantly greater than the control compound (\u22128.32Kcal\/mol).ZINC69481841 and ZINC95486083 were found to bind with the key residues (Leu387, Arg394, Glu353, and Thr347) of ER-\u03b1 protein. Data shows that the lead compounds (ZINC69481841 and ZINC95486083) have an acceptable range of ADMET and drug-likeness properties for further consideration in drug discovery.<\/jats:p>","DOI":"10.6026\/97320630018697","type":"journal-article","created":{"date-parts":[[2022,8,22]],"date-time":"2022-08-22T09:00:14Z","timestamp":1661158814000},"page":"697-702","source":"Crossref","is-referenced-by-count":12,"title":["Molecular docking analysis of phytochemicals with estrogen receptor alpha"],"prefix":"10.6026","volume":"18","author":[{"name":"Department of Pharmacology, Faculty of Medicine, Rabigh, King Abdulaziz University, Jeddah - 21589, KSA","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Misbahuddin","family":"M Rafeeq","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"4070","published-online":{"date-parts":[[2022,8,31]]},"container-title":["Bioinformation"],"original-title":[],"deposited":{"date-parts":[[2022,8,22]],"date-time":"2022-08-22T09:00:22Z","timestamp":1661158822000},"score":1,"resource":{"primary":{"URL":"http:\/\/www.bioinformation.net\/018\/97320630018697.htm"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,8,31]]},"references-count":0,"journal-issue":{"issue":"8","published-online":{"date-parts":[[2022,8,31]]},"published-print":{"date-parts":[[2022,8,31]]}},"URL":"https:\/\/doi.org\/10.6026\/97320630018697","relation":{},"ISSN":["0973-8894","0973-2063"],"issn-type":[{"value":"0973-8894","type":"print"},{"value":"0973-2063","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,8,31]]}}}