{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T17:16:05Z","timestamp":1777655765349,"version":"3.51.4"},"reference-count":21,"publisher":"Walter de Gruyter GmbH","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,11,26]]},"abstract":"Abstract<\/jats:title>\n \n Background<\/jats:title>\n \n Prediction of the properties of absorption, distribution, metabolism, excretion, and toxicity (ADMET) from a compound is essential, especially for modified novel compounds. Previous research has successfully designed several modified compounds of 5-\n O<\/jats:italic>\n -benzoyl derivatives from pinostrobin, a flavanone that has cytotoxic activity. This study aims to describe the properties of ADMET from the 5-\n O<\/jats:italic>\n -benzoylpinostrobin derivative.\n <\/jats:p>\n <\/jats:sec>\n \n Methods<\/jats:title>\n Prediction of the properties of ADMET was carried out using three web servers consisting of SwissADME, pkCSM, and ProTox-II. The observed parameters are divided into ADMET parameters.<\/jats:p>\n <\/jats:sec>\n \n Results<\/jats:title>\n \n In general, absorption parameters indicate that the 5-\n O<\/jats:italic>\n -benzoylpinostrobin derivative has lower water solubility than the parent pinostrobin. Distribution parameters show mixed results for distribution through the blood-brain barrier. Metabolism parameters showed different results with generally inhibitory activity shown in CYP2C19, CYP2C9, and CYP3A4. The excretion parameters showed a higher total clearance than pinostrobin except in the trifluoromethyl derivative. The toxicity parameters showed both pinostrobin and the 5-\n O<\/jats:italic>\n -benzoylpinostrobin derivatives, including the class IV toxicity category with the lowest LD\n 50<\/jats:sub>\n value indicated by the nitro derivative of 1500, with the possible target of the androgen receptor and prostaglandin G\/H synthase 1.\n <\/jats:p>\n <\/jats:sec>\n \n Conclusions<\/jats:title>\n \n Overall, the 5-\n O<\/jats:italic>\n -benzoylpinostrobin derivative has the predicted ADMET profile that is relatively similar to pinostrobin, with the most noticeable difference being shown in the absorption parameters where all 5-\n O<\/jats:italic>\n -benzoylpinostrobin derivatives have lower water solubility than pinostrobin.\n <\/jats:p>\n <\/jats:sec>","DOI":"10.1515\/jbcpp-2019-0251","type":"journal-article","created":{"date-parts":[[2019,12,18]],"date-time":"2019-12-18T04:02:42Z","timestamp":1576641762000},"source":"Crossref","is-referenced-by-count":34,"title":["ADMET properties of novel 5-\n O<\/i>\n -benzoylpinostrobin derivatives"],"prefix":"10.1515","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0727-4392","authenticated-orcid":false,"given":"Mohammad Rizki Fadhil","family":"Pratama","sequence":"first","affiliation":[{"name":"Universitas Airlangga, Doctoral Program of Pharmaceutical Science, Faculty of Pharmacy , Kampus C UNAIR, Jl. Dr. Ir. Soekarno Mulyorejo Surabaya, East Java , Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9241-9161","authenticated-orcid":false,"given":"Hadi","family":"Poerwono","sequence":"additional","affiliation":[{"name":"Universitas Airlangga, Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Kampus C UNAIR, Jl. Dr. Ir. Soekarno Mulyorejo Surabaya, East Java , Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9579-8929","authenticated-orcid":false,"given":"Siswandono","family":"Siswodiharjo","sequence":"additional","affiliation":[{"name":"Universitas Airlangga, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, , Kampus C UNAIR, Jl. Dr. Ir. Soekarno Mulyorejo Surabaya, East Java , Indonesia"}]}],"member":"374","published-online":{"date-parts":[[2019,12,18]]},"reference":[{"key":"2025121209201339975_j_jbcpp-2019-0251_ref_001_w2aab3b8c45b1b7b1ab2b1b1Aa","doi-asserted-by":"crossref","unstructured":"Daina A, Michielin O, Zoete V. 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