{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T02:33:28Z","timestamp":1790130808522,"version":"4.0.1"},"reference-count":66,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100006261","name":"Taif University","doi-asserted-by":"publisher","award":["TURSP-2020\/262"],"award-info":[{"award-number":["TURSP-2020\/262"]}],"id":[{"id":"10.13039\/501100006261","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computational Biology and Chemistry"],"published-print":{"date-parts":[[2021,12]]},"DOI":"10.1016\/j.compbiolchem.2021.107591","type":"journal-article","created":{"date-parts":[[2021,10,15]],"date-time":"2021-10-15T05:45:53Z","timestamp":1634276753000},"page":"107591","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":14,"special_numbering":"C","title":["Design, DFT studies, antimicrobial and antioxidant potential of Binuclear N-heterocyclic Carbene (NHCs) complexes, Probing the aspect of DNA interaction through In-vitro and In-silico approach"],"prefix":"10.1016","volume":"95","author":[{"given":"Rizwan","family":"Ashraf","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maria","family":"Javed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tugba","family":"Taskin-Tok","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Raziya","family":"Nadeem","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad Kashif","family":"Javaid","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed","family":"El-Naggar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Othman M.","family":"Alzahrani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samy F.","family":"Mahmoud","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.compbiolchem.2021.107591_bib1","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1016\/j.jksus.2017.05.011","article-title":"Development, structural investigation, DNA binding, antimicrobial screening and anticancer activities of two novel quari-dentate VO(II) and Mn (II) mononuclear complexes","volume":"31","author":"Abdel-Rahman","year":"2019","journal-title":"J. King Saud Univ. Sci."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib2","doi-asserted-by":"crossref","first-page":"3150","DOI":"10.1080\/00958972.2020.1842378","article-title":"Chemical, physical, and biological properties of Pd(II), V(IV)O, and Ag(I) complexes of N3 tridentate pyridine-based Schiff base ligand","volume":"73","author":"Abdel-Rahman","year":"2020","journal-title":"J. Coord. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib3","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1016\/j.bioorg.2016.10.009","article-title":"Some new nano-sized Fe(II), Cd(II) and Zn(II) Schiff base complexes as precursor for metal oxides: sonochemical synthesis, characterization, DNA interaction, in vitro antimicrobial and anticancer activities","volume":"69","author":"Abdel-Rahman","year":"2016","journal-title":"Bioorgan. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib4","doi-asserted-by":"crossref","first-page":"5089","DOI":"10.3390\/molecules25215089","volume":"25","author":"Abdel-Rahman","year":"2020","journal-title":"Molecules"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib5","doi-asserted-by":"crossref","DOI":"10.1002\/aoc.3750","article-title":"Three novel Ni(II), VO(II) and Cr(III) mononuclear complexes encompassing potentially tridentate imine ligand: synthesis, structural characterization, DNA interaction, antimicrobial evaluation and anticancer activity","volume":"31","author":"Abdel\u2010Rahman","year":"2017","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib6","volume":"32","author":"Abdel\u2010Rahman","year":"2018","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib7","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2019.117700","article-title":"Synthesis and characterization of new Cr(III), Fe(III) and Cu(II) complexes incorporating multi-substituted aryl imidazole ligand: structural, DFT, DNA binding, and biological implications","volume":"228","author":"Abu-Dief","year":"2020","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib8","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2021.130693","article-title":"Synthesis and intensive characterization for novel Zn(II), Pd(II), Cr(III) and VO(II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies","volume":"1242","author":"Abu-Dief","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib9","doi-asserted-by":"crossref","first-page":"1979","DOI":"10.1007\/s11164-020-04380-9","article-title":"Structural, conformational and therapeutic studies on new thiazole complexes: drug-likeness and MOE-simulation assessments","volume":"47","author":"Abu-Dief","year":"2021","journal-title":"Res. Chem. Intermed."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib10","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1007\/s13738-014-0557-9","article-title":"Tailoring, physicochemical characterization, antibacterial and DNA binding mode studies of Cu(II) Schiff bases amino acid bioactive agents incorporating 5-bromo-2-hydroxybenzaldehyde","volume":"12","author":"Abu-Dief","year":"2015","journal-title":"J. Iran. Chem. Soc."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib11","doi-asserted-by":"crossref","DOI":"10.1002\/aoc.5373","article-title":"A robust in vitro anticancer, antioxidant and antimicrobial agents based on new metal\u2010azomethine chelates incorporating Ag(I), Pd (II) and VO (II) cations: probing the aspects of DNA interaction","volume":"34","author":"Abu\u2010Dief","year":"2020","journal-title":"Appl. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib12","doi-asserted-by":"crossref","DOI":"10.1016\/j.poly.2021.115167","article-title":"Tailoring, structural inspection of novel oxy and non-oxy metal-imine chelates for DNA interaction, pharmaceutical and molecular docking studies","volume":"201","author":"Adam","year":"2021","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib13","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1155\/2009\/751746","article-title":"Unique spectral features of DNA infrared bands of some microorganisms","volume":"23","author":"Ahmed","year":"2009","journal-title":"Spectroscopy"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib14","doi-asserted-by":"crossref","first-page":"1509","DOI":"10.1002\/cmdc.202000138","article-title":"Synthesis of N\u2010Aryl\u2010 and N\u2010alkyl\u2010substituted imidazolium silver complexes: cytotoxic screening by using human cell lines modelling acute myeloid leukaemia","volume":"15","author":"Alme","year":"2020","journal-title":"ChemMedChem"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib15","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2020.128542","article-title":"Synthesis, structural identification, DNA interaction and biological studies of divalent metal(II) chelates of 1,2- ethenediamine Schiff base ligand","volume":"1219","author":"Alturiqi","year":"2020","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib16","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2021.115844","article-title":"Synthesis and structural elucidation for new pyrano thiazole complexes: biological screening and effects on DNA through in-vitro and in-silico approaches","volume":"332","author":"Alzahrani","year":"2021","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib17","doi-asserted-by":"crossref","DOI":"10.1016\/j.inoche.2020.108077","article-title":"Synthesis of aryl linked binuclear silver N-heterocyclic carbene complexes, DNA interaction study and biological potentials","volume":"119","author":"Ashraf","year":"2020","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib18","doi-asserted-by":"crossref","first-page":"10970","DOI":"10.1002\/slct.202001990","article-title":"Bioactivity and DNA\/BSA interactions of selenium N\u2010heterocyclic carbene adducts","volume":"5","author":"Ashraf","year":"2020","journal-title":"ChemistrySelect"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib19","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2021.130701","article-title":"Azolium mediated N Heterocyclic carbene selenium adducts: synthesis, cytotoxicity and molecular docking studies","volume":"1241","author":"Ashraf","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib20","doi-asserted-by":"crossref","first-page":"1171","DOI":"10.1007\/s12010-019-03186-9","article-title":"Synthesis, structure, and anticancer activity of symmetrical and non-symmetrical silver(I)-N-heterocyclic carbene complexes","volume":"191","author":"Atif","year":"2020","journal-title":"Appl. Biochem. Biotechnol."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib21","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/j.ica.2015.04.036","article-title":"Interaction of rhenium(I) complex carrying long alkyl chain with Calf Thymus DNA: cytotoxic and cell imaging studies","volume":"434","author":"Balakrishnan","year":"2015","journal-title":"Inorg. Chim. Acta"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib22","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1016\/j.molstruc.2018.01.039","article-title":"Spectroscopic studies on the interaction of mimosine with BSA and DNA","volume":"1161","author":"Baltazar","year":"2018","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib23","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1039\/c2mt20039b","article-title":"Mixed ligand\u2013silver(i) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis","volume":"4","author":"Banti","year":"2012","journal-title":"Metallomics"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib24","doi-asserted-by":"crossref","DOI":"10.1016\/j.poly.2020.114503","article-title":"Induced apoptosis against U937 cancer cells by Fe(II), Co(III) and Ni(II) complexes with a pyrazine-thiazole ligand: synthesis, structure and biological evaluation","volume":"182","author":"Bera","year":"2020","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib25","doi-asserted-by":"crossref","first-page":"7083","DOI":"10.1021\/jacs.0c00836","article-title":"AgN3-catalyzed hydroazidation of terminal alkynes and mechanistic studies","volume":"142","author":"Cao","year":"2020","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib26","first-page":"1","author":"Chanphai","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib27","doi-asserted-by":"crossref","first-page":"PR43","DOI":"10.1021\/cr100149p","article-title":"Update 2 of: electrophilicity Index","volume":"111","author":"Chattaraj","year":"2011","journal-title":"Chem. Rev."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib28","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1016\/j.jddst.2018.07.024","article-title":"Antimicrobial activity of designed undoped and doped MicNo-ZnO particles","volume":"47","author":"Demirel","year":"2018","journal-title":"J. Drug Deliv. Sci. Technol."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib29","doi-asserted-by":"crossref","first-page":"874","DOI":"10.1016\/j.ccr.2006.10.004","article-title":"Stereoelectronic parameters associated with N-heterocyclic carbene (NHC) ligands: a quest for understanding","volume":"251","author":"D\u00edez-Gonz\u00e1lez","year":"2007","journal-title":"Coord. Chem. Rev."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib30","first-page":"120","volume":"14","author":"DIhu","year":"2019","journal-title":"Metal Based Anticancer Agents"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib31","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1073\/pnas.78.4.2179","volume":"78","author":"Drew","year":"1981","journal-title":"Proc. Natl. Acad. Sci."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib32","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2020.119215","article-title":"A novel palladium(II) antitumor agent: Synthesis, characterization, DFT perspective, CT-DNA and BSA interaction studies via in-vitro and in-silico approaches","volume":"249","author":"Feizi-Dehnayebi","year":"2021","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib33","volume":"34","author":"Gaber","year":"2020","journal-title":"Applied Organ. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib34","doi-asserted-by":"crossref","first-page":"222","DOI":"10.1016\/j.poly.2016.09.065","article-title":"Mono- and bis-N-heterocyclic carbene silver(I) and palladium(II) complexes: synthesis, characterization, crystal structure and in vitro anticancer studies","volume":"121","author":"Ghdhayeb","year":"2017","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib35","first-page":"14","volume":"11","author":"Gourkhede","year":"2021","journal-title":"J. Livest. Res."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib36","doi-asserted-by":"crossref","first-page":"142","DOI":"10.1016\/j.inoche.2012.04.033","article-title":"Novel benzimidazolium salts and their silver complexes: synthesis and antibacterial properties","volume":"21","author":"G\u00fcnal","year":"2012","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib37","doi-asserted-by":"crossref","first-page":"2442","DOI":"10.1002\/ejic.202100245","article-title":"Synthesis and Characterization of Poly-NHC-Derived Silver (I) Assemblies and Their Transformation into PolyImidazolium Macrocycles","volume":"25","author":"Guti\u00e9rrez Blanco","year":"2021","journal-title":"Eur. J. Inorg."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib38","doi-asserted-by":"crossref","first-page":"795","DOI":"10.1016\/j.jscs.2019.03.002","article-title":"Unsymmetrically substituted benzimidazolium based Silver(I)-N-heterocyclic carbene complexes: synthesis, characterization and in vitro anticancer study against human breast cancer and colon cancer","volume":"23","author":"Habib","year":"2019","journal-title":"J. Saudi Chem. Soc."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib39","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1016\/j.ejmech.2014.11.005","article-title":"Silver(I) complexes of mono- and bidentate N-heterocyclic carbene ligands: synthesis, crystal structures, and in\u00a0vitro antibacterial and anticancer studies","volume":"90","author":"Haque","year":"2015","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib40","doi-asserted-by":"crossref","first-page":"4663","DOI":"10.1007\/s00044-012-0461-8","article-title":"Synthesis, structure, anticancer, and antioxidant activity of para-xylyl linked bis-benzimidazolium salts and respective dinuclear Ag(I) N-heterocyclic carbene complexes (Part-II)","volume":"22","author":"Haque","year":"2013","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib41","doi-asserted-by":"crossref","DOI":"10.1016\/j.jorganchem.2020.121643","article-title":"Anticancer and antibacterial properties of trinuclear Cu(I), Ag(I) and Au(I) macrocyclic NHC\/urea complexes","volume":"932","author":"Jakob","year":"2021","journal-title":"J. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib42","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1002\/ddr.21478","article-title":"Silver carbene complexes: an emerging class of anticancer agents","volume":"80","author":"Kankala","year":"2019","journal-title":"Drug Dev. Res."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib43","doi-asserted-by":"crossref","DOI":"10.1016\/j.jorganchem.2020.121268","article-title":"The synthesis of novel boronate esters and N-Heterocyclic carbene (NHC)-stabilized boronate esters: spectroscopy, antimicrobial and antioxidant studies","volume":"917","author":"Kilic","year":"2020","journal-title":"J. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib44","first-page":"031","volume":"11","author":"Kuchana","year":"2021","journal-title":"J. Appl. Pharm. Sci."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib45","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/j.bioorg.2018.01.024","article-title":"Exploiting the biological efficacy of benzimidazole based Schiff base complexes with l-Histidine as a co-ligand: combined molecular docking, DNA interaction, antimicrobial and cytotoxic studies","volume":"77","author":"Kumaravel","year":"2018","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib46","doi-asserted-by":"crossref","first-page":"891","DOI":"10.1007\/s10895-010-0635-z","article-title":"Synthesis, characterization, DNA binding properties, fluorescence studies and antioxidant activity of transition metal complexes with Hesperetin-2-hydroxy benzoyl hydrazone","volume":"20","author":"Li","year":"2010","journal-title":"J. Fluoresc."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib47","doi-asserted-by":"crossref","first-page":"7324","DOI":"10.1039\/C5DT00169B","article-title":"Lipophilicity-dependent ruthenium N-heterocyclic carbene complexes as potential anticancer agents","volume":"44","author":"Lv","year":"2015","journal-title":"Dalton Trans."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib48","doi-asserted-by":"crossref","DOI":"10.1016\/j.poly.2020.114559","article-title":"Investigation of DNA binding and bioactivities of thioether containing Schiff base Copper(II), Cobalt(II) and Palladium(II) complexes: synthesis, characterization, spectrochemical study, viscosity measurement","volume":"184","author":"Maiti","year":"2020","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib49","doi-asserted-by":"crossref","first-page":"1753","DOI":"10.1016\/j.poly.2005.11.029","article-title":"Synthesis, structures and fluorescence of nickel, zinc and cadmium complexes with the N,N,O-tridentate Schiff base N-2-pyridylmethylidene-2-hydroxy-phenylamine","volume":"25","author":"Majumder","year":"2006","journal-title":"Polyhedron"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib50","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1016\/j.foodchem.2013.12.067","article-title":"Curcumin\u2013\u03b2-cyclodextrin inclusion complex: stability, solubility, characterisation by FT-IR, FT-Raman, X-ray diffraction and photoacoustic spectroscopy, and food application","volume":"153","author":"Mangolim","year":"2014","journal-title":"Food Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib51","doi-asserted-by":"crossref","first-page":"805","DOI":"10.1007\/s12038-013-9367-y","article-title":"In silico\u2013based combinatorial pharmacophore modelling and docking studies of GSK-3\u03b2 and GK inhibitors of Hippophae","volume":"38","author":"Middha","year":"2013","journal-title":"J. Biosci."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib52","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib53","doi-asserted-by":"crossref","first-page":"11322","DOI":"10.1021\/acs.inorgchem.8b00011","article-title":"Syntheses, structures, and antimicrobial activities of Gold(I)\u2013 and Copper(I)\u2013N-Heterocyclic Carbene (NHC) complexes derived from basket-shaped dinuclear Ag(I)\u2013NHC complex","volume":"57","author":"Nomiya","year":"2018","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib54","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1016\/j.copbio.2007.09.006","article-title":"DNA as a target for anticancer compounds: methods to determine the mode of binding and the mechanism of action","volume":"18","author":"Palchaudhuri","year":"2007","journal-title":"Curr. Opin. Biotechnol."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib55","doi-asserted-by":"crossref","first-page":"2497","DOI":"10.3390\/ijms22052497","article-title":"Silver (I) N-Heterocyclic Carbene complexes: a winning and broad spectrum of antimicrobial properties","volume":"22","author":"Prencipe","year":"2021","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib56","first-page":"1","article-title":"Novel strategies to combat the emerging drug resistance in human pathogenic microbes","volume":"22","author":"Qadri","year":"2021","journal-title":"Curr. Drug Targets"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib57","doi-asserted-by":"crossref","first-page":"2966","DOI":"10.1002\/cbic.202000289","article-title":"Increased lipophilicity of halogenated ruthenium(II) polypyridyl complexes leads to decreased phototoxicity in\u2005vitro when used as photosensitizers for photodynamic therapy","volume":"21","author":"Roy","year":"2020","journal-title":"ChemBioChem"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib58","doi-asserted-by":"crossref","first-page":"711","DOI":"10.1016\/j.ica.2018.11.044","article-title":"Novel N-heterocyclic carbene silver(I) complexes: synthesis, structural characterization, and anticancer activity","volume":"486","author":"\u015eahin-B\u00f6l\u00fckba\u015f\u0131","year":"2019","journal-title":"Inorg. Chim. Acta"},{"key":"10.1016\/j.compbiolchem.2021.107591_bib59","doi-asserted-by":"crossref","first-page":"78","DOI":"10.1016\/j.jorganchem.2019.04.018","article-title":"Novel Silver-NHC complexes: synthesis and anticancer properties","volume":"891","author":"\u015eahin-B\u00f6l\u00fckba\u015f\u0131","year":"2019","journal-title":"J. Organomet. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib60","article-title":"Design, synthesis, antioxidant, antimicrobial, DNA binding and molecular docking studies of morpholine based Schiff base ligand and its metal(II) complexes","volume":"124","author":"Saleem","year":"2021","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib61","doi-asserted-by":"crossref","first-page":"1544","DOI":"10.1016\/j.jksus.2019.12.010","article-title":"Synthesis, structural characterization of silver(I)-NHC complexes and their antimicrobial, antioxidant and antitumor activities","volume":"32","author":"Slimani","year":"2020","journal-title":"J. King Saud Univ. Sci."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib62","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1016\/j.molstruc.2018.12.093","article-title":"Synthesis, spectroscopic properties and biological activity of new Cu(I) N-Heterocyclic carbene complexes","volume":"1181","author":"Touj","year":"2019","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib63","doi-asserted-by":"crossref","DOI":"10.1016\/j.inoche.2020.107767","article-title":"Synthesis, structural characterization, DNA interaction, antibacterial and cytotoxicity studies of bivalent transition metal complexes of 6-aminobenzothiazole Schiff base","volume":"113","author":"Vamsikrishna","year":"2020","journal-title":"Inorg. Chem. Commun."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib64","doi-asserted-by":"crossref","first-page":"3688","DOI":"10.1039\/C4NJ00503A","article-title":"DNA-binding studies and antioxidant activities of two-, three- and four-coordinate silver(i) complexes containing bis(2-benzimidazolyl)aniline derivatives","volume":"38","author":"Wu","year":"2014","journal-title":"New J. Chem."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib65","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2019.127462","article-title":"Theoretical calculation of selenium N-heterocyclic carbene compounds through DFT studies: synthesis, characterization and biological potential","volume":"1204","author":"Yaqoob","year":"2020","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2021.107591_bib66","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.lfs.2018.05.010","article-title":"3-Nitroacridine derivatives arrest cell cycle at G0\/G1 phase and induce apoptosis in human breast cancer cells may act as DNA-target anticancer agents","volume":"206","author":"Zhou","year":"2018","journal-title":"Life Sci."}],"container-title":["Computational Biology and Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927121001614?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927121001614?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T20:01:06Z","timestamp":1778616066000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1476927121001614"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,12]]},"references-count":66,"alternative-id":["S1476927121001614"],"URL":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2021.107591","relation":{},"ISSN":["1476-9271"],"issn-type":[{"value":"1476-9271","type":"print"}],"subject":[],"published":{"date-parts":[[2021,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Design, DFT studies, antimicrobial and antioxidant potential of Binuclear N-heterocyclic Carbene (NHCs) complexes, Probing the aspect of DNA interaction through In-vitro and In-silico approach","name":"articletitle","label":"Article Title"},{"value":"Computational Biology and Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2021.107591","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"107591"}}