{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,2]],"date-time":"2026-11-02T22:36:16Z","timestamp":1793658976556,"version":"4.5.1"},"reference-count":65,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2020,7,1]],"date-time":"2020-07-01T00:00:00Z","timestamp":1593561600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2020,7,1]],"date-time":"2020-07-01T00:00:00Z","timestamp":1593561600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"DOI":"10.13039\/501100010221","name":"Higher Education Commision, Pakistan","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100010221","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2020,7]]},"DOI":"10.1016\/j.bioorg.2020.103924","type":"journal-article","created":{"date-parts":[[2020,5,11]],"date-time":"2020-05-11T21:22:49Z","timestamp":1589232169000},"page":"103924","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":72,"special_numbering":"C","title":["Synthesis, bioactivity and binding energy calculations of novel 3-ethoxysalicylaldehyde based thiosemicarbazone derivatives"],"prefix":"10.1016","volume":"100","author":[{"given":"Muhammad","family":"Ishaq","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Parham","family":"Taslimi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zahid","family":"Shafiq","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samra","family":"Khan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ramin","family":"Ekhteiari Salmas","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammad Mahdi","family":"Zangeneh","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aamer","family":"Saeed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Akram","family":"Zangeneh","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nastaran","family":"Sadeghian","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Asnuzilawati","family":"Asari","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Habsah","family":"Mohamad","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bioorg.2020.103924_b0005","first-page":"2767","article-title":"Novel thiosemicarbazone derivatives and their metal complexes: recent development","volume":"49","author":"Prajapati","year":"2019","journal-title":"Synth. Commun."},{"key":"10.1016\/j.bioorg.2020.103924_b0010","doi-asserted-by":"crossref","first-page":"39","DOI":"10.4236\/jbise.2012.52006","article-title":"Synthesis and in vitro antibacterial evaluation of some thiosemicarbazides and thiosemicarbazones","volume":"5","author":"Sheikhy","year":"2012","journal-title":"J. Biomed. Sci. Eng."},{"key":"10.1016\/j.bioorg.2020.103924_b0015","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1016\/j.ejmech.2013.06.031","article-title":"Synthesis of thiosemicarbazones derived from N-(4-hippuric acid) thiosemicarbazide and different carbonyl compounds as antimicrobial agents","volume":"67","author":"El-Sharief","year":"2013","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0020","doi-asserted-by":"crossref","first-page":"988","DOI":"10.3390\/molecules15020988","article-title":"Synthesis, cytotoxic and antimalarial activities of benzoyl thiosemicarbazone analogs of isoquinoline and related compounds","volume":"15","author":"Pingaew","year":"2010","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2020.103924_b0025","doi-asserted-by":"crossref","first-page":"1983","DOI":"10.1016\/j.ejmech.2007.11.012","article-title":"Synthesis and antimalarial activity of semicarbazone and thiosemicarbazone derivatives","volume":"43","author":"de Oliveira","year":"2008","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0030","doi-asserted-by":"crossref","first-page":"4159","DOI":"10.1007\/s00894-012-1420-5","article-title":"Antifungal effect of 4-arylthiosemicarbazides against Candida species. Search for molecular basis of antifungal activity of thiosemicarbazide derivatives","volume":"18","author":"Siwek","year":"2012","journal-title":"J. Mol. Model."},{"key":"10.1016\/j.bioorg.2020.103924_b0035","doi-asserted-by":"crossref","unstructured":"V. Opletalov\u00e0, D.S. Kalinowski, M. Vejsov\u00e1, J.\u00ed. Kune\u0161, M. Pour, J. Jamp\u00edlek, V.R. Buchta, D.R. Richardson, Identification and characterization of thiosemicarbazones with antifungal and antitumor effects: cellular iron chelation mediating cytotoxic activity, Chem. Res. Toxicol. 21 (2008) 1878\u20131889.","DOI":"10.1021\/tx800182k"},{"key":"10.1016\/j.bioorg.2020.103924_b0040","doi-asserted-by":"crossref","unstructured":"J.L.R. de Melos, E.C. Torres-Santos, V.d.S. Fai\u00f5es, C.d.N. Del Cistia, C.M.R. Sant'Anna, C.E. Rodrigues-Santos, A. Echevarria, Novel 3, 4-methylenedioxyde-6-X-benzaldehyde-thiosemicarbazones: Synthesis and antileishmanial effects against Leishmania amazonensis, Eur. J. Medi. Chem. 103 (2015) 409\u2013417.","DOI":"10.1016\/j.ejmech.2015.09.009"},{"key":"10.1016\/j.bioorg.2020.103924_b0045","doi-asserted-by":"crossref","unstructured":"L.M.M.G. da Silva, J.F. de Oliveira, W.L. Silva, A.L. da Silva, A.S.A. de Almeida Junior, V.H.B. dos Santos, L.C. Alves, F.A.B. dos Santos, V.M.A. Costa, A. de Lima Aires, New 1, 3-benzodioxole derivatives: Synthesis, evaluation of in vitro schistosomicidal activity and ultrastructural analysis, Chemico-biol. Interact. 283 (2018) 20\u201329.","DOI":"10.1016\/j.cbi.2018.01.016"},{"key":"10.1016\/j.bioorg.2020.103924_b0050","doi-asserted-by":"crossref","first-page":"3453","DOI":"10.1016\/j.ejmech.2010.04.036","article-title":"Synthesis and antitumor activity of liquiritigenin thiosemicarbazone derivatives","volume":"45","author":"Hu","year":"2010","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0055","doi-asserted-by":"crossref","first-page":"2360","DOI":"10.1016\/j.bmcl.2017.04.024","article-title":"Design, synthesis and anticancer activity of novel nopinone-based thiosemicarbazone derivatives","volume":"27","author":"Wang","year":"2017","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bioorg.2020.103924_b0060","doi-asserted-by":"crossref","first-page":"4055","DOI":"10.1016\/j.bmc.2017.05.056","article-title":"Synthesis, antiviral evaluation and molecular docking studies of N4-aryl substituted\/unsubstituted thiosemicarbazones derived from 1-indanones as potent anti-bovine viral diarrhea virus agents","volume":"25","author":"Santacruz","year":"2017","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0065","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1016\/j.biopha.2016.12.112","article-title":"Thiosemicarbazones and Phthalyl-Thiazoles compounds exert antiviral activity against yellow fever virus and Saint Louis encephalitis virus","volume":"87","author":"Pacca","year":"2017","journal-title":"Biomed. Pharmacother."},{"key":"10.1016\/j.bioorg.2020.103924_b0070","doi-asserted-by":"crossref","first-page":"818","DOI":"10.1016\/j.ejmech.2008.04.023","article-title":"Synthesis, characterization and antidiabetic properties of N1\u20132, 4-dihydroxybenzylidene-N4-2-hydroxybenzylidene-S-methyl-thiosemicarbazidato-oxovanadium (IV)","volume":"44","author":"Yanardag","year":"2009","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0075","doi-asserted-by":"crossref","unstructured":"M.T. Shehzad, A. Imran, G.S.S. Njateng, A. Hameed, M. Islam, M. Al-Rashida, M. Uroos, A. Asari, Z. Shafiq, J. Iqbal, Benzoxazinone-thiosemicarbazones as antidiabetic leads via aldose reductase inhibition: Synthesis, biological screening and molecular docking study, Bioorg. Chem (2018).","DOI":"10.1016\/j.bioorg.2018.12.006"},{"key":"10.1016\/j.bioorg.2020.103924_b0080","doi-asserted-by":"crossref","first-page":"1062","DOI":"10.1089\/ars.2017.7487","article-title":"Anticancer thiosemicarbazones: chemical properties, interaction with iron metabolism, and resistance development","volume":"30","author":"Heffeter","year":"2019","journal-title":"Antioxid. Redox Signal."},{"key":"10.1016\/j.bioorg.2020.103924_b0085","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1016\/j.ejmech.2016.07.041","article-title":"\u03b1\u2212 N\u2212 heterocyclic thiosemicarbazone Fe (III) complex: characterization of its antitumor activity and identification of anticancer mechanism","volume":"123","author":"Gou","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0090","doi-asserted-by":"crossref","first-page":"3048","DOI":"10.1021\/jm9014394","article-title":"A series of \u03b1-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase II\u03b1 catalytic activity","volume":"53","author":"Huang","year":"2010","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0095","doi-asserted-by":"crossref","unstructured":"M.T. Shehzad, A. Imran, G.S.S. Njateng, A. Hameed, M. Islam, M. al-Rashida, M. Uroos, A. Asari, Z. Shafiq, J. Iqbal, Benzoxazinone-thiosemicarbazones as antidiabetic leads via aldose reductase inhibition: Synthesis, biological screening and molecular docking study, Bioorg. Chem. 87 (2019) 857\u2013866.","DOI":"10.1016\/j.bioorg.2018.12.006"},{"key":"10.1016\/j.bioorg.2020.103924_b0100","doi-asserted-by":"crossref","first-page":"63886","DOI":"10.1039\/C6RA12827K","article-title":"Coumarin-based thiosemicarbazones as potent urease inhibitors: synthesis, solid state self-assembly and molecular docking","volume":"6","author":"Hameed","year":"2016","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2020.103924_b0105","doi-asserted-by":"crossref","unstructured":"M.T. Shehzad, A. Hameed, M. Al-Rashida, A. Imran, M. Uroos, A. Asari, H. Mohamad, M. Islam, S. Iftikhar, Z. Shafiq, Exploring antidiabetic potential of adamantyl-thiosemicarbazones via aldose reductase (ALR2) inhibition, Bioorg. Chem. 92 (2019) 103244.","DOI":"10.1016\/j.bioorg.2019.103244"},{"key":"10.1016\/j.bioorg.2020.103924_b0110","doi-asserted-by":"crossref","unstructured":"A. Hameed, K.M. Khan, S.T. Zehra, R. Ahmed, Z. Shafiq, S.M. Bakht, M. Yaqub, M. Hussain, A.d.l.V. de Le\u00f3n, N. Furtmann, Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors, Bioorg. Chem. 61 (2015) 51\u201357.","DOI":"10.1016\/j.bioorg.2015.06.004"},{"key":"10.1016\/j.bioorg.2020.103924_b0115","unstructured":"J.E. Bradner, J. Zuber, J. Shi, C.R. Vakoc, S.W. Lowe, C.S. Mitsiades, Compositions and methods for treating leukemia, Google Patents, 2017."},{"key":"10.1016\/j.bioorg.2020.103924_b0120","unstructured":"S. Ouk, H.-c. Liou, Small Molecule NF-kB Inhibitors, Google Patents, 2019."},{"key":"10.1016\/j.bioorg.2020.103924_b0125","unstructured":"J.J. Farmer, G.E. Job, Synthesis of substituted salicylaldehyde derivatives, Google Patents, 2019."},{"key":"10.1016\/j.bioorg.2020.103924_b0130","unstructured":"Q. Zeng, A. Toro, J.B. Patterson, W.S. Wade, Z. Zubovics, Y. Yang, Z. Wu, Ire-1alpha inhibitors, Google Patents, 2019."},{"key":"10.1016\/j.bioorg.2020.103924_b0135","doi-asserted-by":"crossref","first-page":"1118","DOI":"10.1016\/S1474-4422(10)70223-4","article-title":"Revising the definition of Alzheimer's disease: a new lexicon","volume":"9","author":"Dubois","year":"2010","journal-title":"The Lancet Neurol."},{"key":"10.1016\/j.bioorg.2020.103924_b0140","doi-asserted-by":"crossref","first-page":"292","DOI":"10.1016\/j.jalz.2016.02.002","article-title":"Preclinical Alzheimer's disease: definition, natural history, and diagnostic criteria","volume":"12","author":"Dubois","year":"2016","journal-title":"Alzheimer's & Dementia"},{"key":"10.1016\/j.bioorg.2020.103924_b0145","first-page":"015","article-title":"The structural hybrids of acetylcholines-terase inhibitors in the treatment of Alzheimer\u2019s disease: a review","volume":"4","author":"Saxena","year":"2018","journal-title":"J. Alzheimers Neurodegener. Dis."},{"key":"10.1016\/j.bioorg.2020.103924_b0150","doi-asserted-by":"crossref","first-page":"86","DOI":"10.2174\/156720509787602861","article-title":"Cholinesterase inhibitors and beyond","volume":"6","author":"Pepeu","year":"2009","journal-title":"Curr. Alzheimer Res."},{"key":"10.1016\/j.bioorg.2020.103924_b0155","doi-asserted-by":"crossref","first-page":"2150","DOI":"10.1016\/j.bmcl.2019.06.056","article-title":"Dual functional cholinesterase and PDE4D inhibitors for the treatment of Alzheimer\u2019s disease: design, synthesis and evaluation of tacrine-pyrazolo [3, 4-b] pyridine hybrids","volume":"29","author":"Pan","year":"2019","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bioorg.2020.103924_b0160","doi-asserted-by":"crossref","first-page":"1619","DOI":"10.3109\/14756366.2016.1160077","article-title":"Synthesis and bioactivity studies on new 4-(3-(4-Substitutedphenyl)-3a, 4-dihydro-3 H-indeno [1, 2-c] pyrazol-2-yl) benzenesulfonamides","volume":"31","author":"Gul","year":"2016","journal-title":"J. Enzym. Inhib. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0165","doi-asserted-by":"crossref","DOI":"10.1002\/jbt.21931","article-title":"Discovery of potent carbonic anhydrase, acetylcholinesterase, and butyrylcholinesterase enzymes inhibitors: the new amides and thiazolidine-4-ones synthesized on an acetophenone base","volume":"31","author":"Taslimi","year":"2017","journal-title":"J. Biochem. Mol. Toxicol."},{"key":"10.1016\/j.bioorg.2020.103924_b0170","doi-asserted-by":"crossref","DOI":"10.3389\/fendo.2017.00006","article-title":"Clinical review of antidiabetic drugs: implications for Type 2 diabetes mellitus management","volume":"8","author":"Chaudhury","year":"2017","journal-title":"Front. Endocrinol."},{"key":"10.1016\/j.bioorg.2020.103924_b0175","doi-asserted-by":"crossref","first-page":"1216","DOI":"10.1080\/14756366.2017.1368503","article-title":"\u03b1-Glucosidase inhibition by flavonoids: an in vitro and in silico structure\u2013activity relationship study","volume":"32","author":"Proen\u00e7a","year":"2017","journal-title":"J. Enzym. Inhib. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0180","doi-asserted-by":"crossref","unstructured":"K. Furlong, I. Ahmed, S. Jabbour, Chapter 12 - Perioperative Management of Endocrine Disorders, in: G.J. Merli, H.H. Weitz (Eds.), Medical Management of the Surgical Patient (Third Edition), W.B. Saunders, Philadelphia, 2008, pp. 411-452.","DOI":"10.1016\/B978-141602385-2.50013-5"},{"key":"10.1016\/j.bioorg.2020.103924_b0185","doi-asserted-by":"crossref","unstructured":"D. Halegoua-De Marzio, V.J. Navarro, Chapter 29 - Hepatotoxicity of Cardiovascular and Antidiabetic Drugs, in: N. Kaplowitz, L.D. DeLeve (Eds.) Drug-Induced Liver Disease (Third Edition), Academic Press, Boston, 2013, pp. 519\u2013540.","DOI":"10.1016\/B978-0-12-387817-5.00029-7"},{"key":"10.1016\/j.bioorg.2020.103924_b0190","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2019.103404","article-title":"Synthesis, characterization and molecular docking of some novel hydrazonothiazolines as urease inhibitors","volume":"94","author":"Shehzad","year":"2020","journal-title":"Bioorg. Chem"},{"key":"10.1016\/j.bioorg.2020.103924_b0195","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1016\/j.bioorg.2018.11.053","article-title":"Xanthenone-based hydrazones as potent \u03b1-glucosidase inhibitors: synthesis, solid state self-assembly and in silico studies","volume":"84","author":"Malik","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0200","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1016\/j.molstruc.2017.04.093","article-title":"Synthesis, structural, DFT studies, docking and antibacterial activity of a xanthene based hydrazone ligand","volume":"1143","author":"Naseem","year":"2017","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2020.103924_b0205","doi-asserted-by":"crossref","first-page":"9351","DOI":"10.1039\/C5NJ01879J","article-title":"Me 3 N-promoted synthesis of 2, 3, 4, 4 a-tetrahydroxanthen-1-one: preparation of thiosemicarbazone derivatives, their solid state self-assembly and antimicrobial properties","volume":"39","author":"Hameed","year":"2015","journal-title":"New J. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0215","doi-asserted-by":"crossref","unstructured":"A. Hameed, M. Yaqub, M. Hussain, A. Hameed, M. Ashraf, H. Asghar, Q. Ul-Ain, M.M. Naseer, K. Mahmood, M. Muddassar, M.N. Tahirf, Z. Shafiq, Coumarin-based thiosemicarbazones as potent urease inhibitors: synthesis, solid state self-assembly and molecular docking. RSC Adv. 6 (2016) 63886\u201363894.","DOI":"10.1039\/C6RA12827K"},{"key":"10.1016\/j.bioorg.2020.103924_b0230","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2020.127922","article-title":"Synthesis and urease inhibitory activity of 1, 4-benzodioxane-based thiosemicarbazones: biochemical and computational approach","volume":"1209","author":"Shehzad","year":"2020","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2020.103924_b0235","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/j.bioorg.2019.03.008","article-title":"Synthesis and characterization of new thiosemicarbazones, as potent urease inhibitors: in vitro and in silico studies","volume":"87","author":"Islam","year":"2019","journal-title":"Bioorg Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0240","doi-asserted-by":"crossref","first-page":"4221","DOI":"10.1016\/S0021-9258(18)95800-X","article-title":"Esterase activities of human carbonic anhydrases B and C","volume":"242","author":"Verpoorte","year":"1967","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0245","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1016\/j.bioorg.2018.12.012","article-title":"The first synthesis, carbonic anhydrase inhibition and anticholinergic activities of some bromophenol derivatives with S including natural products","volume":"85","author":"Bayrak","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0250","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.bioorg.2019.01.044","article-title":"Mono- or di-substituted imidazole derivatives for inhibiton of acetylcholine and butyrylcholine esterases","volume":"86","author":"Kuzu","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0255","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1016\/0006-2952(61)90145-9","article-title":"A new and rapid colorimetric determination of acetylcholinesterase activity","volume":"7","author":"Ellman","year":"1961","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.bioorg.2020.103924_b0260","doi-asserted-by":"crossref","first-page":"316","DOI":"10.1016\/j.bioorg.2019.02.008","article-title":"Investigation of inhibitory properties of some hydrazone compounds on hCA I, hCA II and AChE enzymes","volume":"86","author":"K\u00fc\u00e7\u00fcko\u011flu","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0265","doi-asserted-by":"crossref","first-page":"420","DOI":"10.1016\/j.bioorg.2019.02.013","article-title":"Synthesis, biological evaluation and molecular docking of novel pyrazole derivatives as potent carbonic anhydrase and acetylcholinesterase inhibitors","volume":"86","author":"Turkan","year":"2019","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0270","doi-asserted-by":"crossref","unstructured":"Y. Tao, Y. Zhang, Y. Cheng, et al., Rapid screening and identification of \u03b1- glucosidase inhibitors from mulberry leaves using enzyme-immobilized magnetic beads coupled with HPLC\/MS and NMR. Biomed. Chrom. 27 (2013) 148\u2013155.","DOI":"10.1002\/bmc.2761"},{"key":"10.1016\/j.bioorg.2020.103924_b0275","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1016\/j.ijbiomac.2018.08.001","article-title":"Antidiabetic and antiparasitic potentials: inhibition effects of some natural antioxidant compounds on \u03b1-glycosidase, \u03b1-amylase and human glutathione S-transferase enzymes","volume":"119","author":"Gul\u00e7in","year":"2018","journal-title":"Int. J. Biol. Macromol."},{"key":"10.1016\/j.bioorg.2020.103924_b0280","doi-asserted-by":"crossref","DOI":"10.1002\/ardp.201700314","article-title":"Synthesis and biological evaluation of phloroglucinol derivatives possessing \u03b1-glycosidase, acetylcholinesterase, butyrylcholinesterase, carbonic anhydrase inhibitory activity","volume":"351","author":"Burmaoglu","year":"2018","journal-title":"Arch. Pharm."},{"key":"10.1016\/j.bioorg.2020.103924_b0285","doi-asserted-by":"crossref","unstructured":"F. Erdemir, D. Barut Celepci, A. Akta\u015f, P. Taslimi, Y. G\u00f6k, H. Karab\u0131y\u0131k, \u0130. Gul\u00e7in. 2-Hydroxyethyl substituted NHC precursors: synthesis, characterization, crystal structure and carbonic anhydrase, \u03b1-glycosidase, butyrylcholinesterase, and acetylcholinesterase inhibitory properties. J. Mol. Struct. 1155 (2018) 797\u2013806.","DOI":"10.1016\/j.molstruc.2017.11.079"},{"key":"10.1016\/j.bioorg.2020.103924_b0290","unstructured":"Schr\u00f6dinger Release 2019-4: LigPrep, Schr\u00f6dinger, LLC, New York, NY, 2019."},{"key":"10.1016\/j.bioorg.2020.103924_b0295","doi-asserted-by":"crossref","DOI":"10.1093\/protein\/8.2.127","article-title":"Ligplot: a program to generate schematic diagrams of protein-ligand interactions","author":"Wallace","year":"1995","journal-title":"Protein Eng. Des. Sel."},{"key":"10.1016\/j.bioorg.2020.103924_b0300","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmcl.2006.07.021","article-title":"Carbonic anhydrase activators: The first X-ray crystallographic study of an adduct of isoform I","author":"Temperini","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bioorg.2020.103924_b0305","doi-asserted-by":"crossref","DOI":"10.1039\/C5CC01854D","article-title":"X-ray crystallography-promoted drug design of carbonic anhydrase inhibitors","author":"Ivanova","year":"2015","journal-title":"Chem. Commun."},{"key":"10.1016\/j.bioorg.2020.103924_b0310","doi-asserted-by":"crossref","DOI":"10.1021\/jm300871x","article-title":"Structures of human acetylcholinesterase in complex with pharmacologically important ligands","author":"Cheung","year":"2012","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0315","doi-asserted-by":"crossref","DOI":"10.1021\/jm501195e","article-title":"Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor","author":"Brus","year":"2014","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0320","doi-asserted-by":"crossref","DOI":"10.1007\/s13238-011-1105-3","article-title":"Structural insight into substrate specificity of human intestinal maltase-glucoamylase","author":"Ren","year":"2011","journal-title":"Protein Cell."},{"key":"10.1016\/j.bioorg.2020.103924_b0325","unstructured":"Schr\u00f6dinger Release 2019-4: Maestro, Schr\u00f6dinger, LLC, New York, NY, 2019."},{"key":"10.1016\/j.bioorg.2020.103924_b0330","doi-asserted-by":"crossref","DOI":"10.1002\/jcc.21334","article-title":"Software news and update AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0335","doi-asserted-by":"crossref","DOI":"10.1002\/jcc.20290","article-title":"The Amber biomolecular simulation programs","author":"Case","year":"2005","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bioorg.2020.103924_b0340","doi-asserted-by":"crossref","unstructured":"B.R. Miller, T.D. McGee, J.M. Swails, N. Homeyer, H. Gohlke, A.E. Roitberg. MMPBSA.py: an efficient program for end-state free energy calculations. J. Chem. Theory Comput. (2012) doi:10.1021\/ct300418h.","DOI":"10.1021\/ct300418h"}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206820309834?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206820309834?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,23]],"date-time":"2025-09-23T08:06:16Z","timestamp":1758614776000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206820309834"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,7]]},"references-count":65,"alternative-id":["S0045206820309834"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2020.103924","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2020,7]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Synthesis, bioactivity and binding energy calculations of novel 3-ethoxysalicylaldehyde based thiosemicarbazone derivatives","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2020.103924","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2020 Elsevier Inc. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"103924"}}