{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T16:33:20Z","timestamp":1786638800266,"version":"build-2736575974"},"reference-count":79,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,8,18]],"date-time":"2025-08-18T00:00:00Z","timestamp":1755475200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,8,18]],"date-time":"2025-08-18T00:00:00Z","timestamp":1755475200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Given the growing resistance to existing antifungal agents, a new series of pyrazole\u2010thiazole derivatives (\n                    <jats:bold>2a<\/jats:bold>\n                    \u2013\n                    <jats:bold>2j<\/jats:bold>\n                    ) was synthesized and characterized by HRMS and NMR analyses to ensure molecular accuracy. In vitro testing against various\n                    <jats:italic>Candida<\/jats:italic>\n                    species revealed notable antifungal activity, with compounds\n                    <jats:bold>2c<\/jats:bold>\n                    and\n                    <jats:bold>2e<\/jats:bold>\n                    showing strong inhibition (MIC\n                    <jats:sub>50<\/jats:sub>\n                    \u00a0=\u00a00.98\u00a0\u00b5g\/mL against\n                    <jats:italic>Candida albicans<\/jats:italic>\n                    ), comparable to ketoconazole and fluconazole. To further explore their mechanism of action, in silico studies including molecular docking and molecular dynamics simulations were performed. These analyses confirmed the strong binding affinity and stability of these compounds within the active site of 14\u2010\u03b1\u2010sterol demethylase enzyme, a key enzyme in ergosterol biosynthesis. The electron\u2010withdrawing effects of chlorine and fluorine substituents at the C\u20104 position of the phenyl ring in compounds\n                    <jats:bold>2c<\/jats:bold>\n                    and\n                    <jats:bold>2e<\/jats:bold>\n                    , respectively, likely enhance their antifungal activity. ADME predictions were also performed to assess pharmacokinetic properties, drug\u2010likeness, and potential safety profile of the synthesized derivatives. Among the tested compounds,\n                    <jats:bold>2c<\/jats:bold>\n                    stood out with superior activity across multiple\n                    <jats:italic>Candida<\/jats:italic>\n                    species, with MIC\n                    <jats:sub>50<\/jats:sub>\n                    values of 0.98\u00a0\u00b5g\/mL against\n                    <jats:italic>C. albicans<\/jats:italic>\n                    , and 1.96\u00a0\u00b5g\/mL against both\n                    <jats:italic>C. parapsilosis<\/jats:italic>\n                    and\n                    <jats:italic>C. krusei<\/jats:italic>\n                    . These results suggest that compounds likely exert their antifungal effects by inhibiting ergosterol biosynthesis through interaction with 14\u2010\u03b1\u2010sterol demethylase.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202501313","type":"journal-article","created":{"date-parts":[[2025,8,18]],"date-time":"2025-08-18T20:24:19Z","timestamp":1755548659000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Exploring SAR and Antifungal Activity of Pyrazole\u2010Thiazole\u2010Hydrazone Compounds Through Synthesis and Docking Studies"],"prefix":"10.1002","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0635-0664","authenticated-orcid":false,"given":"Gresa","family":"Halimi Syla","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy Anadolu University  Eski\u015fehir Turkey"},{"name":"Central Analysis Laboratory, Faculty of Pharmacy Anadolu University 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