{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T20:17:24Z","timestamp":1787084244896,"version":"build-2736575974"},"reference-count":35,"publisher":"Wiley","issue":"22","license":[{"start":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T00:00:00Z","timestamp":1760054400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["EEQ\/2018\/000117"],"award-info":[{"award-number":["EEQ\/2018\/000117"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemMedChem"],"published-print":{"date-parts":[[2025,11,18]]},"abstract":"<jats:p>\n                    Cancer remains a major global health challenge, with resistance to existing therapeutic regimens underscoring the development of novel agents with improved efficacy and reduced toxicity. The indole and 1,3,4\u2010thiadiazole scaffolds are distinguished for their broad\u2010spectrum bioactivities, including anticancer properties. In this study, the synthesis and biological evaluation of a new series of indole\u20101,3,4\u2010thiadiazole Schiff bases (\n                    <jats:bold>U1\u2010U31<\/jats:bold>\n                    ) designed to enhance anticancer efficacy is explored. In vitro evaluation demonstrates potent and selective cytotoxicity of several compounds, particularly\n                    <jats:bold>U19<\/jats:bold>\n                    and\n                    <jats:bold>U24<\/jats:bold>\n                    , against multiple cancer cell lines, with minimal toxicity to normal cells. Molecular docking and density functional theory studies demonstrate that these hybrid compounds effectively occupy the ATP\u2010binding sites of Pi3K and Akt proteins, exhibiting notable binding interactions comparable to the respective standard inhibitors. In addition, molecular dynamics simulation is performed to understand the conformational changes of the protein\u2013ligand complex. Overall, the findings indicate that these novel indole\u20101,3,4\u2010thiadiazole derivatives have selective inhibitory potency, making them promising leads for further anticancer drug development.\n                  <\/jats:p>","DOI":"10.1002\/cmdc.202500231","type":"journal-article","created":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T12:30:00Z","timestamp":1760099400000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Exploring Indole\u20101,3,4\u2010Thiadiazole Schiff Base Derivatives as Anticancer Agents: Design, Synthesis, In Vitro and In Silico Evaluation"],"prefix":"10.1002","volume":"20","author":[{"given":"Umadevi","family":"Etikyala","sequence":"first","affiliation":[{"name":"Department of Chemistry Medicinal Chemistry Laboratory Osmania University  Hyderabad 500 076 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rajkumar","family":"Reddyrajula","sequence":"additional","affiliation":[{"name":"Central Research Facility National Institute of Technology Karnataka  Surathkal Mangalore 575025 India"},{"name":"School of Sciences Woxsen University  Hyderabad 502345 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Udaya","family":"kumar Dalimba","sequence":"additional","affiliation":[{"name":"Department of Chemistry Organic and Materials Chemistry Laboratory National Institute of Technology Karnataka  Surathkal Mangalore 575025 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Premalatha","family":"Kokku","sequence":"additional","affiliation":[{"name":"Department of Chemistry Osmania University College for Women  Hyderabad 500095 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9056-8385","authenticated-orcid":false,"given":"Vijjulatha","family":"Manga","sequence":"additional","affiliation":[{"name":"Department of Chemistry Medicinal Chemistry Laboratory Osmania University  Hyderabad 500 076 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,10,10]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.3322\/caac.21820"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.inoche.2024.112605"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jafc.3c09303"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11030-024-10894-w"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2023.117562"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2024.116376"},{"key":"e_1_2_8_8_1","doi-asserted-by":"crossref","unstructured":"M. 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