{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,31]],"date-time":"2026-07-31T08:01:44Z","timestamp":1785484904891,"version":"3.56.0"},"reference-count":40,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T00:00:00Z","timestamp":1767830400000},"content-version":"vor","delay-in-days":7,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"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":[[2026,1]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Cancer and multidrug\u2010resistant (MDR) bacterial infections are pressing global health concerns that demand continuous studies on new bioactive compounds. With a view to create new bioactives, the present study reports on the design and synthesis of novel fatty acid derivatives containing oxadiazole moiety and isoniazid in a molecular entity. The structures of the synthesized compounds were confirmed through nuclear magnetic resonance (NMR), infrared (IR) and mass spectrometry. Anticancer screening revealed that compounds\n                    <jats:bold>7b<\/jats:bold>\n                    and\n                    <jats:bold>7e<\/jats:bold>\n                    demonstrated notable cytotoxic activity, particularly against the B16\u2010F10 cell line. Compound\n                    <jats:bold>7b<\/jats:bold>\n                    exhibited the most potent activity with an IC\n                    <jats:sub>50<\/jats:sub>\n                    of 7.3\u00a0\u00b1\u00a00.8\u00a0\u00b5M in cancer cells and 18.4\u00a0\u00b1\u00a00.2\u00a0\u00b5M in normal cells, indicating a promising selectivity profile. The synthesized derivatives also displayed moderate antibacterial and antifungal effects in preliminary screening. Computational evaluations supported their drug\u2010like physicochemical properties and favourable pharmacokinetics, whereas Toxicity Prediction by Computer Assisted Technology (TOPKAT) (a robust quantitative structure\u2013toxicity relationship [QSTR]\u2010based toxicity prediction tool) indicated promising safety profiles across multiple endpoints, such as mutagenicity and carcinogenicity. Together, these findings highlight these isoniazid\u2013oxadiazole\u2013fatty acid hybrids as promising dual\u2010acting therapeutic candidates, warranting further development.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202502042","type":"journal-article","created":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T12:31:57Z","timestamp":1767875517000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Novel Isoniazid\u2013Based 1,3,4\u2010Oxadiazole\u2013Fatty Acid Hybrids: Synthesis, In Vitro Biological Activity and In Silico ADME\/Tox Predictions"],"prefix":"10.1002","volume":"23","author":[{"given":"Balbheem","family":"Jadhaw","sequence":"first","affiliation":[{"name":"Department of Oils, Lipid Science and Technology CSIR\u2010Indian Institute of Chemical Technology  Hyderabad India"},{"name":"Academy of Scientific and Innovative Research (AcSIR)  Ghaziabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"C. Bharath","family":"Kumar","sequence":"additional","affiliation":[{"name":"Department of Oils, Lipid Science and Technology CSIR\u2010Indian Institute of Chemical Technology  Hyderabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kanchana","family":"Vasapalli","sequence":"additional","affiliation":[{"name":"Applied Biology CSIR\u2010Indian Institute of Chemical Technology  Hyderabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"K. Sai","family":"Pranathi","sequence":"additional","affiliation":[{"name":"Applied Biology CSIR\u2010Indian Institute of Chemical Technology  Hyderabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gondru","family":"Ramesh","sequence":"additional","affiliation":[{"name":"Academy of Scientific and Innovative Research (AcSIR)  Ghaziabad India"},{"name":"Food Chemistry Division ICMR\u2010National Institute of Nutrition (NIN) Hyderabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sunil","family":"Misra","sequence":"additional","affiliation":[{"name":"Academy of Scientific and Innovative Research (AcSIR)  Ghaziabad India"},{"name":"Applied Biology CSIR\u2010Indian Institute of Chemical Technology  Hyderabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2726-1166","authenticated-orcid":false,"given":"Shiva Shanker","family":"Kaki","sequence":"additional","affiliation":[{"name":"Department of Oils, Lipid Science and Technology CSIR\u2010Indian Institute of Chemical Technology  Hyderabad India"},{"name":"Academy of Scientific and Innovative Research (AcSIR)  Ghaziabad India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,1,8]]},"reference":[{"key":"e_1_2_8_2_1","volume-title":"Cancer Fact Sheet","author":"World Health Organization","year":"2012"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.micpath.2025.107588"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature.2017.21550"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.farmac.2004.09.003"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.04.017"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijtb.2023.07.002"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1191\/0960327103ht401oa"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.21873\/invivo.12551"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.3797\/scipharm.1307\u201025"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jiph.2020.12.033"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2009.05.022"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/jo034760e"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.3390\/cancers13040861"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13065\u2010020\u201000721\u20102"},{"key":"e_1_2_8_16_1","first-page":"137","article-title":"Synthesis, Characterization, Antidiabetic and Antioxidant Activity of 1,3,4\u2010Oxadiazole Derivatives Bearing 6\u2010Methyl Pyridine Moiety","volume":"7","author":"Shyma C. 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