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Anti-breast cancer activity is significantly influenced by the inhibition\nof two receptors: ER-\u03b1 and HER2. However, it is unknown which metabolites of B. pandurata play\nthe most crucial role in exerting anticancer activity.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Objective:<\/jats:title>\n<jats:p>This study aimed to determine the metabolites of B. pandurata with the best potential as ER-\u03b1\nand HER2 inhibitors.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Method:<\/jats:title>\n<jats:p>The method used was molecular docking of several B. pandurata metabolites to ER-\u03b1 and\nHER2 receptors, followed by an ADMET study of several metabolites with the best docking results.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Results:<\/jats:title>\n<jats:p>The docking results showed eight metabolites with the best docking results for the two receptors\nbased on the docking score and ligand-receptor interactions. Of these eight compounds, compounds 11\n((2S)-7,8-dihydro-5-hydroxy-2-methyl-2-(4''-methyl-3''-pentenyl)-8-phenyl-2H,6H-benzo(1,2-b-5,4-\nb')dipyran-6-one) and 34 (geranyl-2,4-dihydroxy-6-phenethylbenzoate) showed the potential to inhibit\nboth receptors. Both ADMET profiles also showed mixed results; however, there is a possibility of further\ndevelopment.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Conclusion:<\/jats:title>\n<jats:p>In conclusion, the metabolites of B. pandurata, especially compounds 11 and 34, can be\ndeveloped as anti-breast cancer agents by inhibiting ER-\u03b1 and HER2.<\/jats:p>\n<\/jats:sec>","DOI":"10.2174\/1570180819666211220111245","type":"journal-article","created":{"date-parts":[[2021,12,21]],"date-time":"2021-12-21T05:04:47Z","timestamp":1640063087000},"page":"606-626","update-policy":"https:\/\/doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Boesenbergia Pandurata as an Anti-Breast Cancer Agent: Molecular Docking\nand ADMET Study"],"prefix":"10.1016","volume":"19","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0727-4392","authenticated-orcid":true,"given":"Mohammad Rizki  Fadhil","family":"Pratama","sequence":"first","affiliation":[{"name":"Doctoral Program of Pharmaceutical Science, Faculty of Pharmacy, Universitas Airlangga, Surabaya 60115, Indonesia"},{"name":"Department of Pharmacy, Faculty of Health Science, Universitas Muhammadiyah Palangkaraya, Palangka Raya\n73111, Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7190-9495","authenticated-orcid":true,"given":"Ersanda Nurma","family":"Praditapuspa","sequence":"additional","affiliation":[{"name":"Master Program of Pharmaceutical Science, Faculty of Pharmacy, Universitas Airlangga, Surabaya\n60115, Indonesia"}]},{"given":"Dini","family":"Kesuma","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Surabaya, Surabaya\n60293, Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9241-9161","authenticated-orcid":true,"given":"Hadi","family":"Poerwono","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya\n60115, Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0156-6095","authenticated-orcid":true,"given":"Tri","family":"Widiandani","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya\n60115, Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9579-8929","authenticated-orcid":true,"given":"Siswandono","family":"Siswodihardjo","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Airlangga, Surabaya\n60115, Indonesia"}]}],"member":"78","reference":[{"key":"ref=1","doi-asserted-by":"publisher","first-page":"77","DOI":"10.1016\/j.gendis.2018.05.001","volume":"5","author":"Feng Y.","year":"2018","unstructured":"Feng Y.; Spezia M.; Huang S.; Yuan C.; Zeng Z.; Zhang L.; Ji X.; Liu W.; Huang B.; Luo W.; Liu B.; Lei Y.; Du S.; Vuppalapati A.; Luu H.H.; Haydon R.C.; He T-C.; Ren G.; Breast cancer development and progression: Risk factors, cancer stem cells, signaling pathways, genomics, and molecular pathogenesis. 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