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The structures were characterized by nuclear magnetic resonance\u00a0and high resolution mass spectroscopy\u00a0techniques. All compounds were examined for some metabolic enzyme activities. Results indicated that all the synthetic molecules exhibited powerful inhibitory actions against human carbonic anhydrase I and II (hCAI and II), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) enzymes compared to the standard molecules. <jats:italic>K<\/jats:italic><jats:sub>i<\/jats:sub> values of five novel thiosemicarbazides and five new 1,3,4\u2010thiadiazole\u20102\u2010amine derivatives (<jats:bold>3a\u2013e<\/jats:bold> and <jats:bold>4a\u2013e<\/jats:bold>) for hCA I, hCA II, AChE, and BChE enzymes were obtained in the ranges 0.73\u201321.60, 0.42\u201315.08\u2009\u00b5M, 3.48\u201381.48, 92.61\u2013211.40\u2009nM, respectively. After the experimental undertaking, an extensive molecular docking analysis was conducted to scrutinize the intricate details of interactions between the ligand and the enzyme in question. The principal focus of this investigation was to appraise the potency and efficacy of the most active compound. In this context, the calculated docking scores were noted to be remarkably low, with values of \u22128.65, \u22127.97, \u22128.92, and \u22128.32\u2009kcal\/mol being recorded for hCA I, hCA II, AChE, and BChE, respectively. These observations suggest a high affinity and specificity of the studied compounds toward\u00a0the enzymes, as mentioned earlier, which may pave the way for novel therapeutic interventions aimed at modulating the activity of these enzymes.<\/jats:p>","DOI":"10.1002\/ardp.202300370","type":"journal-article","created":{"date-parts":[[2023,9,25]],"date-time":"2023-09-25T02:20:32Z","timestamp":1695608432000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Synthesis, characterization, biochemical, and molecular modeling studies of carvacrol\u2010based new thiosemicarbazide and 1,3,4\u2010thiadiazole derivatives"],"prefix":"10.1002","volume":"356","author":[{"given":"Tenzile","family":"Alag\u00f6z","sequence":"first","affiliation":[{"name":"Department of Chemistry Faculty of Sciences Sakarya University  Sakarya Turkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatma G\u00fcne\u015f","family":"\u00c7ali\u015fkan","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Sciences Sakarya University  Sakarya Turkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6909-316X","authenticated-orcid":false,"given":"Hayriye Gen\u00e7","family":"Bilgi\u00e7li","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Sciences Sakarya University  Sakarya Turkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mustafa","family":"Zengin","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Sciences Sakarya University  Sakarya Turkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Morteza","family":"Sadeghi","sequence":"additional","affiliation":[{"name":"Department of Cell and Molecular Biology &amp; Microbiology Faculty of Biological Science and Technology Isfahan University  Isfahan Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3171-0633","authenticated-orcid":false,"given":"Parham","family":"Taslimi","sequence":"additional","affiliation":[{"name":"Department of Biotechnology Faculty of Science Bartin University  Bartin Turkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"\u0130lhami","family":"Gul\u00e7in","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Science Atat\u00fcrk University  Erzurum Turkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2023,9,24]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/embor.2009.12"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbi.2022.110134"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.2174\/138161208786404227"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms18122392"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1080\/10408398.2011.653458"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/0278-6915(84)90033-4"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/jf049859g"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1742-7843.2010.00609.x"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.4315\/0362-028X-68.5.919"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1046\/j.1472-765X.2003.01285.x"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.4315\/0362-028X-65.10.1545"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.7324\/JAPS.2012.2734"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1111\/jam.12453"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1590\/S1517-83822011000400049"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodcont.2014.05.007"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3803(20020901)46:5<317::AID-FOOD317>3.0.CO;2-B"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phymed.2009.12.008"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.2063"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.2042-7158.2011.01344.x"},{"key":"e_1_2_7_21_1","doi-asserted-by":"publisher","DOI":"10.1515\/znc-2008-7-813"},{"key":"e_1_2_7_22_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.1451"},{"key":"e_1_2_7_23_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1472-8206.2010.00850.x"},{"key":"e_1_2_7_24_1","first-page":"1128","volume":"16","author":"Sardari S.","year":"2017","journal-title":"Iran. 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