{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,9]],"date-time":"2026-05-09T22:39:35Z","timestamp":1778366375996,"version":"3.51.4"},"reference-count":67,"publisher":"Oxford University Press (OUP)","issue":"7","license":[{"start":{"date-parts":[[2023,7,1]],"date-time":"2023-07-01T00:00:00Z","timestamp":1688169600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2023,7,4]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Aim<\/jats:title>\n                  <jats:p>This study aimed to use one strain many compounds approach (OSMAC) to investigate the cytotoxic potential of Aspergillus terreus associated with soybean versus several cancer cell lines, by means of in-silico and in vitro approaches.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Methods and results<\/jats:title>\n                  <jats:p>Fermentation of the isolated strain was done on five media. The derived extracts were investigated for their inhibitory activities against three human cancer cell lines; mammary gland breast cancer (MCF-7), colorectal adenocarcinoma (Caco-2), and hepatocellular carcinoma (HepG2) using MTT Assay. The fungal mycelia fermented in Modified Potato Dextrose Broth (MPDB) was the most cytotoxic extract against HepG2, MCF-7, and Caco-2 cell lines with IC50 4.2\u00a0\u00b1\u00a00.13, 5.9\u00a0\u00b1\u00a00.013 and 7.3\u00a0\u00b1\u00a00.004\u00a0\u03bcg\u2009mL\u22121, respectively. MPDB extract was scaled up resulting in the isolation of six metabolites; three fatty acids (1, 2, and 4), one sterol (3) and two butenolides (5 and 6) by column chromatography. The isolated compounds (1\u20136) were screened through a molecular docking approach for their binding aptitude to various active sites. butyrolactone-I (5) revealed a significant interaction within the CDK2 active site, while aspulvinone E (6) showed promising binding affinity to FLT3 and EGFR active sites that was confirmed by in vitro CDK2, FLT3 and EGFR inhibitory activity. Finally, the in vitro cytotoxic activities of butyrolactone-I (5) and aspulvinone E (6) revealed the antiproliferative activity of butyrolactone-I (5), against HepG2 cell line (IC50\u00a0=\u00a017.85\u00a0\u00b1\u00a00.32\u00a0\u03bcM).<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Conclusion<\/jats:title>\n                  <jats:p>Molecular docking analysis and in vitro assays suggested the CDK2\/A2 inhibitory potential of butyrolactone-I (5) in addition to the promising interaction abilities of aspulvinone E (6) with EGFR and FLT3 active sites as a possible mechanism of their biological activities.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/jambio\/lxad129","type":"journal-article","created":{"date-parts":[[2023,7,4]],"date-time":"2023-07-04T06:13:27Z","timestamp":1688451207000},"source":"Crossref","is-referenced-by-count":4,"title":["Promising Cytotoxic butenolides from the Soybean endophytic fungus <i>Aspergillus terreus<\/i>: a combined molecular docking and in-vitro studies"],"prefix":"10.1093","volume":"134","author":[{"given":"Seham S","family":"El-Hawary","sequence":"first","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Cairo University , Cairo 11562 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0228-6757","authenticated-orcid":false,"given":"Abeer S","family":"Moawad","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University , Beni-Suef 62511 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hebatallah S","family":"Bahr","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Nahda University , Beni-Suef 62513 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eman Z","family":"Attia","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Minia University , Minia 61519 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mo`men H","family":"El-Katatny","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, Faculty of Science, Minia University , Minia 61519 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Muhamad","family":"Mustafa","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, Faculty of Pharmacy, Deraya University , New Minia 61111 , Egypt"},{"name":"IBMM, Univ. Montpellier, CNRS, ENSCM , Montpellier 34293 , France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ahmed A","family":"Al-Karmalawy","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University , Giza 12566 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mostafa E","family":"Rateb","sequence":"additional","affiliation":[{"name":"School of Computing, Engineering & Physical Sciences, University of the West of Scotland , Paisley PA1 2BE , UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jian-ye","family":"Zhang","sequence":"additional","affiliation":[{"name":"Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target & Clinical Pharmacology, the NMPA and State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences and the Fifth Affiliated Hospital, Guangzhou Medical University , Guangzhou 511436 , China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1014-6922","authenticated-orcid":false,"given":"Usama Ramadan","family":"Abdelmohsen","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Deraya University , New Minia City, Minia 61111 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rabab","family":"Mohammed","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University , Beni-Suef 62511 , Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2023,7,3]]},"reference":[{"key":"2023072212395556500_bib2","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1016\/j.bioorg.2019.01.026","article-title":"New thiazol-hydrazono-coumarin hybrids targeting human cervical cancer cells: synthesis, CDK2 inhibition, QSAR and molecular docking studies","volume":"86","author":"Abd\u00a0El-Karim","year":"2019","journal-title":"Bioorg Chem"},{"key":"2023072212395556500_bib1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/14786419.2022.2030328","article-title":"the Red Sea marine sponge Spongia irregularis: metabolomic profiling and cytotoxic potential supported by in silico studies","volume":"36","author":"Abdelaleem","year":"2022","journal-title":"Nat Prod Res"},{"key":"2023072212395556500_bib3","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/j.sajb.2021.06.020","article-title":"Cytotoxic potential of Allium sativum L. roots and their green synthesized nanoparticles supported with metabolomics and molecular docking analyses","volume":"142","author":"Ahmed","year":"2021","journal-title":"S Afr J Bot"},{"key":"2023072212395556500_bib4","doi-asserted-by":"crossref","first-page":"103726","DOI":"10.1016\/j.bioorg.2020.103726","article-title":"Design and Synthesis of some new 2,4,6-trisubstituted quinazoline EGFR inhibitors as targeted anticancer agents","volume":"98","author":"Allam","year":"2020","journal-title":"Bioorg Chem"},{"key":"2023072212395556500_bib5","doi-asserted-by":"crossref","first-page":"836","DOI":"10.1603\/ME10244","article-title":"Identification of mosquito biting deterrent constituents from the indian folk remedy plant Jatropha curcas","volume":"48","author":"Cantrell","year":"2011","journal-title":"Jnl Med Entom"},{"key":"2023072212395556500_bib6","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1590\/1809-4392201500072","article-title":"Phytosterols isolated from endophytic fungus Colletotrichum gloeosporioides (Melanconiaceae)","volume":"46","author":"Carvalho","year":"2016","journal-title":"Acta Amaz"},{"key":"2023072212395556500_bib7","first-page":"3147","article-title":"the story of MCF-7 breast cancer cell line: 40 Years of experience in research","volume":"35","author":"Com\u015fa","year":"2015","journal-title":"Anticancer Res"},{"key":"2023072212395556500_bib8","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1007\/s11274-017-2228-3","article-title":"Bioactive compounds of Aspergillus terreus\u2014F7, an endophytic fungus from Hyptis suaveolens (L.) 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