{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,26]],"date-time":"2026-10-26T19:17:20Z","timestamp":1793042240367,"version":"4.5.0"},"reference-count":53,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,4,1]],"date-time":"2022-04-01T00:00:00Z","timestamp":1648771200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computational Biology and Chemistry"],"published-print":{"date-parts":[[2022,4]]},"DOI":"10.1016\/j.compbiolchem.2022.107643","type":"journal-article","created":{"date-parts":[[2022,2,11]],"date-time":"2022-02-11T11:52:08Z","timestamp":1644580328000},"page":"107643","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":133,"special_numbering":"C","title":["Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates"],"prefix":"10.1016","volume":"97","author":[{"given":"Ahmed M.","family":"Abu-Dief","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rafat M.","family":"El-Khatib","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Faizah S.","family":"Aljohani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hessah A.","family":"Al-Abdulkarim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Seraj","family":"Alzahrani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gehad","family":"El-Sarrag","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed","family":"Ismael","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.compbiolchem.2022.107643_bib1","doi-asserted-by":"crossref","first-page":"632","DOI":"10.1016\/j.ica.2017.07.004","volume":"466","author":"Atash","year":"2017","journal-title":"Inorg. Chim. Acta"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib2","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/j.jorganchem.2015.05.024","volume":"791","author":"Abd El-Wahab","year":"2015","journal-title":"J. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib3","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1016\/j.poly.2017.03.020","volume":"129","author":"Raja Jlassi","year":"2017","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib4","first-page":"1","article-title":"Journal of Chemistry","volume":"8","author":"Salah","year":"2019","journal-title":"RRJCHEM"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib5","doi-asserted-by":"crossref","first-page":"666","DOI":"10.1016\/j.poly.2016.07.002","volume":"117","author":"Elisabete C.B.A","year":"2016","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib6","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2021.116498","volume":"334","author":"Abou-Melha","year":"2021","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib7","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.inoche.2012.06.008","volume":"22","author":"Mahmudov","year":"2012","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib8","doi-asserted-by":"crossref","first-page":"190","DOI":"10.1071\/CH17595","volume":"71","author":"Gurbanov","year":"2018","journal-title":"Aust. J. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib9","doi-asserted-by":"crossref","first-page":"1244","DOI":"10.1016\/j.ccr.2012.12.016","volume":"257","author":"Kamran","year":"2013","journal-title":"Coord. Chem. Rev."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib10","doi-asserted-by":"crossref","first-page":"1523","DOI":"10.1002\/cplu.201402088","volume":"79","author":"Kamran","year":"2014","journal-title":"ChemPlusChem"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib11","doi-asserted-by":"crossref","first-page":"526","DOI":"10.1016\/j.molcata.2016.05.030","volume":"426","author":"Zhen","year":"2017","journal-title":"J. Mol. Catal. A: Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib12","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1016\/j.ica.2017.12.001","volume":"471","author":"Jlassi","year":"2018","journal-title":"Inorganica Chimica Acta"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib13","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/j.jorganchem.2013.12.019","volume":"760","author":"Kamran","year":"2014","journal-title":"J. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib14","doi-asserted-by":"crossref","first-page":"4076","DOI":"10.1039\/C7NJ00420F","volume":"41","author":"Nuno","year":"2017","journal-title":"N. J. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib15","doi-asserted-by":"crossref","first-page":"10071","DOI":"10.1039\/C6NJ02161A","volume":"40","author":"Nuno","year":"2016","journal-title":"N. J. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib16","first-page":"430","article-title":"Saudi","volume":"26","author":"Suresh","year":"2018","journal-title":"Pharm. J."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib17","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/j.ica.2017.09.037","volume":"469","author":"Atash","year":"2018","journal-title":"Inorg. Chim. Acta"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib18","doi-asserted-by":"crossref","first-page":"7756","DOI":"10.1063\/1.1316015","volume":"113","author":"Delley","year":"2000","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib19","doi-asserted-by":"crossref","first-page":"508","DOI":"10.1063\/1.458452","volume":"92","author":"Delley","year":"1990","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib20","doi-asserted-by":"crossref","first-page":"1372","DOI":"10.1063\/1.464304","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib21","doi-asserted-by":"crossref","first-page":"1219","DOI":"10.1261\/rna.1563609","volume":"15","author":"Lang","year":"2009","journal-title":"RNA"},{"issue":"4","key":"10.1016\/j.compbiolchem.2022.107643_bib22","doi-asserted-by":"crossref","first-page":"1174","DOI":"10.1016\/j.jmb.2008.01.077","volume":"377","author":"Mouilleron","year":"2008","journal-title":"J. Mol. Biol."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107643_bib23","doi-asserted-by":"crossref","first-page":"2415","DOI":"10.1529\/biophysj.107.122184","volume":"95","author":"Colloc\u2019h","year":"2008","journal-title":"Biophys. J."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib24","author":"Tara","year":"2010","journal-title":"PLoS Biol. 8. 7"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib25","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1016\/j.molstruc.2015.09.039","volume":"1103","author":"Abdel\u2010Rahman","year":"2016","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib26","doi-asserted-by":"crossref","first-page":"467","DOI":"10.1080\/15533174.2015.1137057","volume":"47","author":"Abdel\u2010Rahman","year":"2017","journal-title":"Inorg. Nano\u2010Metal Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib27","doi-asserted-by":"crossref","first-page":"S1835","DOI":"10.1016\/j.arabjc.2013.07.010","volume":"10","author":"Abdel\u2010Rahman","year":"2017","journal-title":"Arab. J. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib28","doi-asserted-by":"crossref","DOI":"10.1002\/aoc.5373","volume":"34","author":"Abu-Dief","year":"2020","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib29","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/j.molstruc.2013.02.023","volume":"1040","author":"Abdel\u2010Rahman","year":"2013","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib30","doi-asserted-by":"crossref","first-page":"366","DOI":"10.1016\/j.saa.2013.07.056","volume":"117","author":"Abdel\u2010Rahman","year":"2014","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib31","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/j.saa.2010.04.036","volume":"77","author":"Emara","year":"2010","journal-title":"Spectrochm. Acta A"},{"issue":"4","key":"10.1016\/j.compbiolchem.2022.107643_bib32","doi-asserted-by":"crossref","DOI":"10.1002\/aoc.6169","volume":"35","author":"Aljohani","year":"2021","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib33","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/j.saa.2012.02.063","volume":"92","author":"Sobha","year":"2012","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib34","doi-asserted-by":"crossref","first-page":"949","DOI":"10.1016\/j.saa.2006.04.033","volume":"66","author":"Mohamed","year":"2007","journal-title":"Spetrochim. Acta A"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib35","doi-asserted-by":"crossref","DOI":"10.2298\/JSC101027097A","volume":"76","author":"Ababei","year":"2011","journal-title":"J. Serb. Chem. Soc."},{"key":"10.1016\/j.compbiolchem.2022.107643_sbref36","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1016\/j.bioorg.2016.10.009","volume":"69","author":"Abdel\u2010Rahman","year":"2016","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_sbref37","volume":"31","author":"Abdel-Rahman","year":"2017","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib37","unstructured":"(a)L. H. Abdel\u2010Rahman , A. M. Abu\u2010Dief, M. O. Aboelez, A. A. H. Abdel\u2010Mawgoud, J. Photochem. Photobiol. B 2017, 170, 271; (b) Mahmoud Abd El Aleem Ali Ali El-Remaily, Tarek El-Dabea, Mohammed Alsawat, Mohamed HH Mahmoud, Alia Abdulaziz Alfi, Nashwa El-Metwaly, Ahmed M Abu-Dief, ACS omega 6 (32), 21071\u201321086."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib38","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2021.116797","volume":"339","author":"Al-Abdulkarim","year":"2021","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib39","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2021.130693","volume":"1242","author":"Abu-Dief","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib40","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/j.comptc.2011.07.010","volume":"964","author":"Wang","year":"2011","journal-title":"Comput. Theor. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib41","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2021.115611","volume":"330","author":"Ismael","year":"2021","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.compbiolchem.2022.107643_sbref42","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2021.131017","volume":"1244","author":"Abu-Dief","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2022.107643_sbref43","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2021.115277","volume":"326","author":"Abu-Dief","year":"2021","journal-title":"J. Mol. Liq."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107643_sbref44","doi-asserted-by":"crossref","DOI":"10.1002\/aoc.6154","volume":"35","author":"Aljohani","year":"2021","journal-title":"Appl. Organomet. Chem."},{"issue":"4","key":"10.1016\/j.compbiolchem.2022.107643_sbref45","doi-asserted-by":"crossref","DOI":"10.1002\/aoc.6169","volume":"35","author":"Aljohani","year":"2021","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_sbref46","volume":"Vol. 1","author":"Gualerzi","year":"2013"},{"key":"10.1016\/j.compbiolchem.2022.107643_sbref47","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2019.117700","volume":"228","author":"Abu-Dief","year":"2020","journal-title":"Spectrochim. Acta A"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107643_sbref48","doi-asserted-by":"crossref","first-page":"111","DOI":"10.3390\/pharmaceutics14010111","volume":"14","author":"Saddik","year":"2022","journal-title":"Pharmaceutics"},{"key":"10.1016\/j.compbiolchem.2022.107643_bib45","volume":"2","author":"Beyene","year":"2020","journal-title":"Results Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib46","volume":"32","author":"Abdel-Rahman","year":"2018","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib47","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/j.sbi.2017.10.010","article-title":"Protein structure-based drug design: from docking to molecular Dynamics","volume":"48","author":"Sledz","year":"2018","journal-title":"Curr. Opin. Struct. Biol."},{"key":"10.1016\/j.compbiolchem.2022.107643_bib48","doi-asserted-by":"crossref","first-page":"488","DOI":"10.1016\/j.molimm.2018.08.003","article-title":"Critical assessment of approaches for molecular docking to elucidate associations of HLA alleles with adverse drug reactions","volume":"101","author":"Ramsbottoma","year":"2018","journal-title":"Mol. Immunol."}],"container-title":["Computational Biology and Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927122000238?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927122000238?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T13:22:29Z","timestamp":1761484949000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1476927122000238"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,4]]},"references-count":53,"alternative-id":["S1476927122000238"],"URL":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2022.107643","relation":{},"ISSN":["1476-9271"],"issn-type":[{"value":"1476-9271","type":"print"}],"subject":[],"published":{"date-parts":[[2022,4]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates","name":"articletitle","label":"Article Title"},{"value":"Computational Biology and Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2022.107643","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"107643"}}