{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,11]],"date-time":"2026-07-11T13:45:52Z","timestamp":1783777552720,"version":"3.55.0"},"reference-count":61,"publisher":"Wiley","license":[{"start":{"date-parts":[[2025,5,10]],"date-time":"2025-05-10T00:00:00Z","timestamp":1746835200000},"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"],"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>The current research investigates the green and efficient water extract of banana peel (WEB) mediated synthesis of thiazole derivatives and their anticancer activity against the MCF\u20107 breast cancer cell line. A total of 10 novel thiazole derivatives were synthesized by green protocol and characterized by Fourier\u2010transform infrared, proton nuclear magnetic resonance (<jats:sup>1<\/jats:sup>H NMR), carbon\u201013 (<jats:sup>13<\/jats:sup>C) NMR and mass spectral methods confirming the successful synthesis of the desired thiazole derivatives. A 3:1 ethanol\u2010to\u2010WEB solvent mixture was identified as optimal, achieving an 83% yield within 1 h. The synthesis protocol accommodates a range of aryl and halogen substitutions, allowing for flexibility in compound design and resulting in high yields (75\u201388%) across diverse derivatives. Compound <jats:bold>4e<\/jats:bold>, bearing a methoxy group, emerged as the most potent candidate with a minimum inhibitory concentration (IC<jats:sub>50<\/jats:sub>) of 11.03 \u00b1 1.047\u00a0\u00b5M, while compound <jats:bold>4c<\/jats:bold>, featuring a chlorine substituent, also showed strong activity with an IC<jats:sub>50<\/jats:sub> of 13.36 \u00b1 1.21\u00a0\u00b5M. The structure\u2010activity relationship analysis indicated that both electron\u2010donating and electron\u2010withdrawing groups significantly influence anticancer potency. Molecular docking studies with epidermal growth factor receptors revealed that compound <jats:bold>4e<\/jats:bold> has the highest binding affinity, with a docking score of \u22126.98\u00a0kcal\/mol, surpassing the standard drug Gefitinib (\u22126.45\u00a0kcal\/mol). Density functional theory study revealed electronic, chemical and biological characteristics of <jats:bold>4e<\/jats:bold> through frontier molecular orbital, molecular electrostatic potential and global descriptors. Absorption\u2013distribution\u2013metabolism\u2013excretion analysis suggested favourable drug\u2010like properties for most compounds. These findings highlight the WEB\u2010mediated synthesis as a valuable approach for developing bioactive thiazole derivatives with potential as anticancer agents.<\/jats:p>","DOI":"10.1002\/cbdv.202402791","type":"journal-article","created":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T03:49:27Z","timestamp":1745207367000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Green Synthesis of Pyrazole Linked Thiazole Derivatives With Enhanced Anti\u2010Breast Cancer Activity: Water Extract of Banana Peel\u2010Mediated Protocol, Anticancer Screening, Epidermal Growth Factor Receptor Inhibition, In Silico Absorption\u2013Distribution\u2013Metabolism\u2013Excretion and Density Functional Theory Calculations"],"prefix":"10.1002","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-0802-2039","authenticated-orcid":false,"given":"Almas","family":"Vahora","sequence":"first","affiliation":[{"name":"Department of Chemistry Mahatma Gandhi Vidyamandir's Loknete Vyankatrao Hiray Arts, Science and Commerce College (Affiliated to Savitribai Phule Pune University)  Panchavati Nashik Maharashtra India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-4913-9999","authenticated-orcid":false,"given":"Varsha","family":"Singh","sequence":"additional","affiliation":[{"name":"Department of Chemistry Mahatma Gandhi Vidyamandir's Loknete Vyankatrao Hiray Arts, Science and Commerce College (Affiliated to Savitribai Phule Pune University)  Panchavati Nashik Maharashtra India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-5224-2701","authenticated-orcid":false,"given":"Hemant S.","family":"Deshmukh","sequence":"additional","affiliation":[{"name":"Department of Chemistry Mahatma Gandhi Vidyamandir's Loknete Vyankatrao Hiray Arts, Science and Commerce College (Affiliated to Savitribai Phule Pune University)  Panchavati Nashik Maharashtra India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7691-7884","authenticated-orcid":false,"given":"Vishnu A.","family":"Adole","sequence":"additional","affiliation":[{"name":"Department of Chemistry Mahatma Gandhi Vidyamandir's Loknete Vyankatrao Hiray Arts, Science and Commerce College (Affiliated to Savitribai Phule Pune University)  Panchavati Nashik Maharashtra India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1995-136X","authenticated-orcid":false,"given":"Suraj N.","family":"Mali","sequence":"additional","affiliation":[{"name":"School of Pharmacy D. Y. Patil University (Deemed to be University)  Navi Mumbai India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6748-2137","authenticated-orcid":false,"given":"Umang","family":"Shah","sequence":"additional","affiliation":[{"name":"Ramanbhai Patel College of Pharmacy Charotar University of Science and Technology  Anand India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-0379-682X","authenticated-orcid":false,"given":"Adrija","family":"Mukherjee","sequence":"additional","affiliation":[{"name":"B. D. Patel Institute of Paramedical Sciences Charotar University of Science and Technology  Anand India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-6828-4785","authenticated-orcid":false,"given":"Himisa","family":"Shah","sequence":"additional","affiliation":[{"name":"B. D. 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