{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T20:39:25Z","timestamp":1788381565269,"version":"build-2803163510"},"reference-count":51,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2024,11,23]],"date-time":"2024-11-23T00:00:00Z","timestamp":1732320000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"published-print":{"date-parts":[[2025,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Herein, the synthesis, anti\u2010cancer evaluation, and <jats:italic>in silico<\/jats:italic> studies of a series of 1,2,4\u2010oxadiazole compounds (<jats:bold>8<\/jats:bold>\u2010<jats:bold>15<\/jats:bold>) are disclosed. The synthesized molecules were tested <jats:italic>in\u2005vitro<\/jats:italic> for anti\u2010cancer activity against MCF\u20107, MDA\u2010MB\u2010231, HeLa, Ishikawa cell lines and human embryonic kidney (HEK\u2010293) cell lines. Among the synthesized compounds, <jats:bold>9<\/jats:bold> and <jats:bold>15<\/jats:bold> exhibited significant cytotoxicity, with IC<jats:sub>50<\/jats:sub> values of 7.82\u2005\u03bcM and 6.02\u2005\u03bcM, respectively, against MCF\u20107\u2005cell line, better than that of anti\u2010breast cancer drug, tamoxifen (IC<jats:sub>50<\/jats:sub>=11.92\u2005\u03bcM), used as control. Significantly, both <jats:bold>9<\/jats:bold> and <jats:bold>15<\/jats:bold> exhibited very low toxicity (IC<jats:sub>50<\/jats:sub>&gt;20\u2005\u03bcM) against normal HEK\u2010293 cells. This suggests them as potentially effective anti\u2010cancer lead molecules. The <jats:italic>in\u2005vitro<\/jats:italic> anti\u2010cancer data was supported by <jats:italic>in silico<\/jats:italic> studies which also identified compounds <jats:bold>9<\/jats:bold> and <jats:bold>15<\/jats:bold> as potent inhibitors of the 17\u03b2\u2010hydroxysteroid dehydrogenase1 (17\u03b2\u2010HSD1) proteins, demonstrating strong interactions and stability The atom\u2010based QSAR model exhibited high accuracy, significant regression, and predictive reliability, aiding in understanding and optimizing biological activity. The drug\u2010likeness study of compounds <jats:bold>9<\/jats:bold> and <jats:bold>15<\/jats:bold> indicated favorable pharmacokinetics, with in silico toxicity predictions showing compound 15 to be non\u2010toxic. These findings suggest compounds 9 and 15 as potential lead molecules against breast cancer.<\/jats:p>","DOI":"10.1002\/cbdv.202402020","type":"journal-article","created":{"date-parts":[[2024,11,4]],"date-time":"2024-11-04T17:19:41Z","timestamp":1730740781000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Synthesis and Evaluation of 3,5\u2010Disubstituted\u20101,2,4\u2010Oxadiazolyl Benzamides as Potential Anti\u2010Breast Cancer Agents: In Vitro and In Silico Studies"],"prefix":"10.1002","volume":"22","author":[{"given":"Mohammad","family":"Asad","sequence":"first","affiliation":[{"name":"Department of Chemistry TCG Life Science  Kolakata 700091, WB India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shahid","family":"Karim","sequence":"additional","affiliation":[{"name":"Department of Clinical Pharmacology Faculty of Medicine King Abdulaziz University  Jeddah 21589 Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"family":"Sanobar","sequence":"additional","affiliation":[{"name":"Department of Chemistry Govt. 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