{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T09:08:20Z","timestamp":1789549700079,"version":"build-2803163510"},"reference-count":33,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T00:00:00Z","timestamp":1786924800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T00:00:00Z","timestamp":1786924800000},"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":["J Biochem &amp;amp; Molecular Tox"],"published-print":{"date-parts":[[2026,9]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    The present study focuses on the design, synthesis, characterization, and biological evaluation of two new series of derivatives 4\u2010(4\u2010amino\u20103\u2010fluorophenoxy)\u2010N\u2010methylpicolinamide (\n                    <jats:bold>3a\u2013e<\/jats:bold>\n                    ) and 2\u2010aminobenzothiazole (\n                    <jats:bold>5a\u2010e<\/jats:bold>\n                    ) as potential antioxidant and anticancer agents. The compounds were synthesized via a one\u2010pot condensation reaction of 4\u2010(4\u2010amino\u20103\u2010fluorophenoxy)\u2010N\u2010methylpicolinamide and 2\u2010aminobenzothiazole with various phenyl isocyanates, isothiocyanates, and sulfonamides in the presence of triethylamine at 60\u00b0C. Reaction progress was monitored by TLC, and products were purified using column chromatography. Structural elucidation was achieved using FT\u2010IR,\n                    <jats:sup>1<\/jats:sup>\n                    H NMR,\n                    <jats:sup>13<\/jats:sup>\n                    C NMR, HRMS, and CHN analyses. Antioxidant activity, evaluated by DPPH and ABTS assays, revealed that compounds\n                    <jats:bold>3d<\/jats:bold>\n                    and\n                    <jats:bold>5b<\/jats:bold>\n                    exhibited the highest radical scavenging potential, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 21.45\u2009\u03bcg\/mL and 20.05\u2009\u03bcg\/mL (DPPH) and 22.24\u2009\u03bcg\/mL and 21.98\u2009\u03bcg\/mL (ABTS), comparable to ascorbic acid. Cytotoxicity assessment by MTT assay demonstrated strong antiproliferative activity of\n                    <jats:bold>3d<\/jats:bold>\n                    and\n                    <jats:bold>5b<\/jats:bold>\n                    against MDA\u2010MB\u2010231 breast cancer cells (IC\n                    <jats:sub>50<\/jats:sub>\n                    = 22.13\u2009\u03bcg\/mL and 20.11\u2009\u03bcg\/mL), with minimal toxicity toward normal 3T3\u2010L1 cells. Fluorescence microscopy and flow cytometry confirmed apoptosis profile induction and G2\/M phase arrest. The qRT\u2010PCR analysis showed significant down\u2010regulation of Bcl\u20102, CDK2, and ERK2 gene expression, correlating with apoptotic activation. Molecular docking and MM\u2010GBSA analyses revealed stable and high\u2010affinity binding of\n                    <jats:bold>3d<\/jats:bold>\n                    and\n                    <jats:bold>5b<\/jats:bold>\n                    with Bcl\u20102, CDK2, and ERK2 proteins, supported by multiple hydrogen bonding and \u03c0\u2013\u03c0 interactions. Molecular dynamics simulations (150\u2009ns) confirmed the structural stability of these complexes. Overall, compounds\n                    <jats:bold>3d<\/jats:bold>\n                    and\n                    <jats:bold>5b<\/jats:bold>\n                    emerged as promising dual\u2010function \u2018antioxidant and anticancer\u2019 candidates and in vivo evaluations for therapeutic development.\n                  <\/jats:p>","DOI":"10.1002\/jbt.71025","type":"journal-article","created":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T15:06:00Z","timestamp":1786979160000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, Anticancer Evaluation, mRNA Expression Analysis, and Molecular Docking of Fluorinated Picolinamide\u2013Benzothiazole Derivatives Against Breast Cancer\u2010Related Genes CDK2, ERK2, and BCL2"],"prefix":"10.1002","volume":"40","author":[{"given":"Nagalakshmamma","family":"Vadabingi","sequence":"first","affiliation":[{"name":"Department of Chemistry Sri Venkateswara University 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