{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T04:09:10Z","timestamp":1791259750895,"version":"4.1.0"},"reference-count":49,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,12,17]],"date-time":"2025-12-17T00:00:00Z","timestamp":1765929600000},"content-version":"vor","delay-in-days":16,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J Biochem &amp;amp; Molecular Tox"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    The present study has been conducted to investigate the inhibitory effects and antioxidant capacities of two pyrimidine derivatives, 4,6\u2010Dichloro\u20102\u2010(methylthio) pyrimidine\u20105\u2010carbonyl chloride (\n                    <jats:bold>p1<\/jats:bold>\n                    ) and 4,6\u2010Dichloro\u20102\u2010(methylthio) pyrimidine\u20105\u2010carboxyamide (\n                    <jats:bold>p2<\/jats:bold>\n                    ), against the glutathione S\u2010transferase (GST) enzyme for exploring their potential as therapeutic agents in conditions related to oxidative stress and drug resistance mediated through GST. The data are compared with that of ethacrynic acid (EA), a well\u2010documented GST inhibitor. The IC\n                    <jats:sub>50<\/jats:sub>\n                    values for molecules\n                    <jats:bold>p1<\/jats:bold>\n                    ,\n                    <jats:bold>p2<\/jats:bold>\n                    , and EA were computed to be 38.5\u2009nM, 46.2\u2009nM, and 5.82\u2009nM, respectively. During the second part of the inhibition study, Ki values calculated from IC\n                    <jats:sub>50<\/jats:sub>\n                    plots became 57.61\u2009nM for molecule\n                    <jats:bold>p1<\/jats:bold>\n                    , 43.75\u2009nM for molecule\n                    <jats:bold>p2<\/jats:bold>\n                    , and 4.43\u2009nM for EA. Molecules\n                    <jats:bold>p1<\/jats:bold>\n                    and\n                    <jats:bold>p2<\/jats:bold>\n                    depicted non\u2010competitive mechanisms, while EA followed competitive inhibition. Moreover, antioxidant capacities of molecules were tested by the 2,2\u2010diphenyl\u20101\u2010picrylhydrazyl (DPPH) radical scavenging assay method. Using the DPPH method scavenging activity in both\n                    <jats:bold>p1<\/jats:bold>\n                    and\n                    <jats:bold>p2<\/jats:bold>\n                    was comparable to that of the reference standard, ascorbic acid (AA). Other than this, biological activities of GST enzyme complexes were further validated using molecular docking, molecular dynamics, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) analyses. These complementary studies gave further insight into binding affinities, dynamic stability, and pharmacokinetic properties, reinforcing the impact of\n                    <jats:bold>p1<\/jats:bold>\n                    and\n                    <jats:bold>p2<\/jats:bold>\n                    complexation on GST structural and functional characteristics.\n                  <\/jats:p>","DOI":"10.1002\/jbt.70652","type":"journal-article","created":{"date-parts":[[2025,12,18]],"date-time":"2025-12-18T07:41:02Z","timestamp":1766043662000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Pyrimidine Based Inhibitors Targeting Glutathione S\u2010Transferase in Phase II Detoxification: Antioxidant, ADMET, Docking, and Molecular Dynamics Evaluation"],"prefix":"10.1002","volume":"39","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0538-3157","authenticated-orcid":false,"given":"Fikret","family":"T\u00fcrkan","sequence":"first","affiliation":[{"name":"Department of Basic Sciences Faculty of Dentistry, Igdir University I\u011fd\u0131r T\u00fcrkiye"},{"name":"Department of Basic Medical Science Medical Faculty, Nakhchivan State University, AZ Nakhchivan Azerbaijan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adnan","family":"Cetin","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Education, Van Yuzuncu Yil University Van T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Meryem Ayan","family":"Ustun","sequence":"additional","affiliation":[{"name":"Research Laboratory Application and Research Center Igdir University I\u011fd\u0131r 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