{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,23]],"date-time":"2026-03-23T22:22:12Z","timestamp":1774304532057,"version":"3.50.1"},"reference-count":50,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,1,1]],"date-time":"2022-01-01T00:00:00Z","timestamp":1640995200000},"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":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2022,1]]},"DOI":"10.1016\/j.saa.2021.120391","type":"journal-article","created":{"date-parts":[[2021,9,24]],"date-time":"2021-09-24T08:25:14Z","timestamp":1632471914000},"page":"120391","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":19,"special_numbering":"C","title":["Studying the interaction of scopolamine with calf-thymus DNA: An in-vitro and in-silico approach and genotoxicity"],"prefix":"10.1016","volume":"265","author":[{"given":"Faisal","family":"Ameen","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sharmin","family":"Siddiqui","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ishrat","family":"Jahan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shahid M.","family":"Nayeem","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sayeed ur","family":"Rehman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammad","family":"Tabish","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2021.120391_b0005","doi-asserted-by":"crossref","first-page":"112671","DOI":"10.1016\/j.molliq.2020.112671","article-title":"A detailed insight into the interaction of memantine with bovine serum albumin: A spectroscopic and computational approach","volume":"303","author":"Ameen","year":"2020","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.saa.2021.120391_b0010","first-page":"1","article-title":"Interaction of memantine with calf thymus DNA: an in-vitro and in-silico approach and cytotoxic effect on the cancerous cell lines","author":"Ameen","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.saa.2021.120391_b0015","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1016\/j.saa.2017.05.073","article-title":"Molecular spectroscopic and thermodynamic studies on the interaction of anti-platelet drug ticlopidine with calf thymus DNA","volume":"186","author":"Afrin","year":"2017","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"issue":"1","key":"10.1016\/j.saa.2021.120391_b0025","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1016\/j.ijbiomac.2007.08.010","article-title":"Studies on the interaction of isoxazolcurcumin with calf thymus DNA","volume":"42","author":"Bera","year":"2008","journal-title":"Int. J. Biol. Macromol."},{"key":"10.1016\/j.saa.2021.120391_b0030","unstructured":"BIOVIA, D.S., 2016. Discovery Studio Modeling Environment, Release 2017, San Diego: DassaultSyst\u00e8mes, 2016. Addres: http:\/\/accelrys. com\/products\/collaborativescience\/biovia-discoverystudio\/visualization download. php."},{"issue":"6","key":"10.1016\/j.saa.2021.120391_b0035","doi-asserted-by":"crossref","first-page":"1978","DOI":"10.1111\/j.1471-4159.2007.04666.x","article-title":"Hippocampal gene expression profiling reveals the possible involvement of Homer1 and GABAB receptors in scopolamine-induced amnesia","volume":"102","author":"Brouillette","year":"2007","journal-title":"J. Neurochem."},{"issue":"2","key":"10.1016\/j.saa.2021.120391_b0045","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1021\/bm1013102","article-title":"Bundling and aggregation of DNA by cationic dendrimers","volume":"12","author":"Froehlich","year":"2010","journal-title":"Biomacromolecules"},{"issue":"1","key":"10.1016\/j.saa.2021.120391_b0050","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1021\/ci400352t","article-title":"Docking studies on DNA intercalators","volume":"54","author":"Gilad","year":"2014","journal-title":"J. Chem. Inf. Model."},{"issue":"1","key":"10.1016\/j.saa.2021.120391_b0055","doi-asserted-by":"crossref","first-page":"107","DOI":"10.4161\/auto.5224","article-title":"Nelfinavir, a new anticancer drug with pleiotropic effects and many paths to autophagy","volume":"4","author":"Gills","year":"2008","journal-title":"Autophagy"},{"issue":"1","key":"10.1016\/j.saa.2021.120391_b0060","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graph."},{"issue":"79","key":"10.1016\/j.saa.2021.120391_b0065","doi-asserted-by":"crossref","first-page":"64335","DOI":"10.1039\/C5RA09181K","article-title":"Spectroscopic and molecular docking evidence of aspirin and diflunisal binding to DNA: a comparative study","volume":"5","author":"Husain","year":"2015","journal-title":"RSC Adv."},{"issue":"24","key":"10.1016\/j.saa.2021.120391_b0070","doi-asserted-by":"crossref","first-page":"6569","DOI":"10.1111\/febs.12558","article-title":"Naproxen intercalates with DNA and causes photocleavage through ROS generation","volume":"280","author":"Husain","year":"2013","journal-title":"FEBS J."},{"issue":"2","key":"10.1016\/j.saa.2021.120391_b0075","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1016\/j.dyepig.2013.05.028","article-title":"Binding of DNA with Rhodamine B: Spectroscopic and molecular modeling studies","volume":"99","author":"Islam","year":"2013","journal-title":"Dyes Pigm."},{"issue":"10","key":"10.1016\/j.saa.2021.120391_b0080","doi-asserted-by":"crossref","first-page":"1922","DOI":"10.1016\/j.bpj.2019.09.046","article-title":"Effect of Osmolytes on Conformational Behavior of Intrinsically Disordered Protein \u03b1-Synuclein","volume":"117","author":"Jahan","year":"2019","journal-title":"Biophys. J ."},{"issue":"3","key":"10.1016\/j.saa.2021.120391_b0085","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1007\/s13738-016-1001-0","article-title":"Molecular dynamics simulation of the sliding of distamycin anticancer drug along DNA: interactions and sequence selectivity","volume":"14","author":"Jalili","year":"2017","journal-title":"J. Iran. Chem. Soc."},{"key":"10.1016\/j.saa.2021.120391_b0090","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1016\/j.saa.2017.11.042","article-title":"Spectroscopic profiling and computational study of the binding of tschimgine: A natural monoterpene derivative, with calf thymus DNA","volume":"192","author":"Khajeh","year":"2018","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"issue":"19","key":"10.1016\/j.saa.2021.120391_b0095","doi-asserted-by":"crossref","first-page":"8547","DOI":"10.1021\/ja00072a004","article-title":"DNA binding studies and site selective fluorescence sensitization of an anthryl probe","volume":"115","author":"Kumar","year":"1993","journal-title":"J. Am. Chem. Soc."},{"issue":"7","key":"10.1016\/j.saa.2021.120391_b0100","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1021\/ci500020m","article-title":"g_mmpbsa A GROMACS tool for high-throughput MM-PBSA calculations","volume":"54","author":"Kumari","year":"2014","journal-title":"J. Chem. Inf. Model."},{"issue":"13","key":"10.1016\/j.saa.2021.120391_b0105","doi-asserted-by":"crossref","first-page":"7280","DOI":"10.1039\/C7RA13272G","article-title":"Characterizing the binding interaction of astilbin with bovine serum albumin: a spectroscopic study in combination with molecular docking technology","volume":"8","author":"Liu","year":"2018","journal-title":"RSC Adv."},{"issue":"16","key":"10.1016\/j.saa.2021.120391_b0110","doi-asserted-by":"crossref","first-page":"3241","DOI":"10.1093\/hmg\/ddr236","article-title":"DNMT1 deficiency triggers mismatch repair defects in human cells through depletion of repair protein levels in a process involving the DNA damage response","volume":"20","author":"Loughery","year":"2011","journal-title":"Hum. Mol. Genet."},{"key":"10.1016\/j.saa.2021.120391_b0115","doi-asserted-by":"crossref","unstructured":"Mavromoustakos, T., Durdagi, S., Koukoulitsa, C., Simcic, M., G Papadopoulos, M., Hodoscek, M. and Golic Grdadolnik, S., 2011. Strategies in the rational drug design. Current medicinal chemistry, 18(17), pp.2517-2530.","DOI":"10.2174\/092986711795933731"},{"key":"10.1016\/j.saa.2021.120391_b0120","unstructured":"Mostafavinia, S.E. and Hoshyar, R., 2016. Spectroscopic studies on the interaction of"},{"issue":"22","key":"10.1016\/j.saa.2021.120391_b0125","doi-asserted-by":"crossref","first-page":"5483","DOI":"10.1021\/acs.jpcb.7b01867","article-title":"Residues of Alpha Helix H3 Determine Distinctive Features of Transforming Growth Factor \u03b23","volume":"121","author":"Nayeem","year":"2017","journal-title":"J. Phys. Chem. B"},{"issue":"16","key":"10.1016\/j.saa.2021.120391_b0130","doi-asserted-by":"crossref","first-page":"3647","DOI":"10.1021\/bi00635a022","article-title":"Mechanism of ethidium bromide fluorescence enhancement on binding to nucleic acids","volume":"16","author":"Olmsted","year":"1977","journal-title":"Biochemistry"},{"issue":"6","key":"10.1016\/j.saa.2021.120391_b0135","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1038\/nrd2916","article-title":"Novel anticancer strategy targets DNA repair","volume":"8","author":"Opar","year":"2009","journal-title":"Nat. Rev. Drug Discovery"},{"key":"10.1016\/j.saa.2021.120391_b0140","doi-asserted-by":"crossref","unstructured":"Pettersen, E.F., Goddard, T.D., Huang, C.C., Couch, G.S., Greenblatt, D.M., Meng, E.C. and Ferrin, T.E., 2004. UCSF Chimera\u2014a visualization system for exploratory research and analysis. Journal of computational chemistry, 25(13), pp.1605-1612.","DOI":"10.1002\/jcc.20084"},{"key":"10.1016\/j.saa.2021.120391_b0145","doi-asserted-by":"crossref","unstructured":"Privalov, P.L., Dragan, A.I. and Crane-Robinson, C., 2011. Interpreting protein\/DNA interactions: distinguishing specific from non-specific and electrostatic from non-electrostatic components. Nucleic acids research, 39(7), pp.2483-2491.","DOI":"10.1093\/nar\/gkq984"},{"key":"10.1016\/j.saa.2021.120391_b0150","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/j.ejmech.2014.03.084","article-title":"Picolinic acid based Cu (II) complexes with heterocyclic bases\u2013crystal structure, DNA binding and cleavage studies","volume":"79","author":"Pulimamidi","year":"2014","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.saa.2021.120391_b0155","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.abb.2017.05.014","article-title":"Unravelling the interaction of pirenzepine, a gastrointestinal disorder drug, with calf thymus DNA: An in vitro and molecular modelling study","volume":"625","author":"Rahman","year":"2017","journal-title":"Arch. Biochem. Biophys."},{"issue":"4","key":"10.1016\/j.saa.2021.120391_b0160","doi-asserted-by":"crossref","first-page":"e93913","DOI":"10.1371\/journal.pone.0093913","article-title":"Interaction of 6 mercaptopurine with calf thymus DNA\u2013deciphering the binding mode and photoinduced DNA damage","volume":"9","author":"Rehman","year":"2014","journal-title":"PLoS ONE"},{"key":"10.1016\/j.saa.2021.120391_b0165","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1016\/j.abb.2015.03.024","article-title":"Studying non-covalent drug\u2013DNA interactions","volume":"576","author":"Rehman","year":"2015","journal-title":"Arch. Biochem. Biophys."},{"key":"10.1016\/j.saa.2021.120391_b0170","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/j.abb.2014.12.013","article-title":"Deciphering the interactions between chlorambucil and calf thymus DNA: a multi-spectroscopic and molecular docking study","volume":"566","author":"Rehman","year":"2015","journal-title":"Arch. Biochem. Biophys."},{"issue":"11","key":"10.1016\/j.saa.2021.120391_b0175","doi-asserted-by":"crossref","first-page":"3096","DOI":"10.1021\/bi00514a017","article-title":"Thermodynamics of protein association reactions: forces contributing to stability","volume":"20","author":"Ross","year":"1981","journal-title":"Biochemistry"},{"key":"10.1016\/j.saa.2021.120391_b0180","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/j.ijbiomac.2014.10.017","article-title":"Interaction of coumarin with calf thymus DNA: deciphering the mode of binding by in vitro studies","volume":"73","author":"Sarwar","year":"2015","journal-title":"Int. J. Biol. Macromol."},{"key":"10.1016\/j.saa.2021.120391_b0185","doi-asserted-by":"crossref","first-page":"154","DOI":"10.1016\/j.saa.2014.01.066","article-title":"Experimental and molecular docking studies on DNA binding interaction of adefovir dipivoxil: Advances toward treatment of hepatitis B virus infections","volume":"125","author":"Shahabadi","year":"2014","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2021.120391_b0190","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1016\/j.saa.2012.05.045","article-title":"Spectroscopic studies on the interaction of calf thymus DNA with the drug levetiracetam","volume":"96","author":"Shahabadi","year":"2012","journal-title":"Spectrochim. Acta Part A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2021.120391_b0195","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.jphotobiol.2013.03.013","article-title":"Drug\u2013DNA interactions and their study by UV\u2013Visible, fluorescence spectroscopies and cyclic voltametry","volume":"124","author":"Sirajuddin","year":"2013","journal-title":"J. Photochem. Photobiol., B"},{"issue":"4","key":"10.1016\/j.saa.2021.120391_b0200","doi-asserted-by":"crossref","first-page":"642","DOI":"10.1111\/jnc.13171","article-title":"Hippocampal chromatin-modifying enzymes are pivotal for scopolamine-induced synaptic plasticity gene expression changes and memory impairment","volume":"134","author":"Singh","year":"2015","journal-title":"J. Neurochem."},{"key":"10.1016\/j.saa.2021.120391_b0205","doi-asserted-by":"crossref","unstructured":"Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A.E. and Berendsen, H.J., 2005. GROMACS: fast, flexible, and free. Journal of computational chemistry, 26(16), pp.1701-1718.","DOI":"10.1002\/jcc.20291"},{"key":"10.1016\/j.saa.2021.120391_b0210","doi-asserted-by":"crossref","unstructured":"Wang, J., Wolf, R.M., Caldwell, J.W., Kollman, P.A. and Case, D.A., 2005. Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case,\u201c Development and testing of a general amber force field\u201d Journal of Computational Chemistry (2004) 25 (9) 1157\u20131174. Journal of Computational Chemistry, 26(1), pp.114-114.","DOI":"10.1002\/jcc.20145"},{"key":"10.1016\/j.saa.2021.120391_b0215","doi-asserted-by":"crossref","unstructured":"White, C.M., Satz, A.L., Bruice, T.C. and Beerman, T.A., 2001. Inhibition of transcription factor-DNA complexes and gene expression by a microgonotropen. Proceedings of the National Academy of Sciences, 98(19), pp.10590-10595.","DOI":"10.1073\/pnas.191374698"},{"issue":"1","key":"10.1016\/j.saa.2021.120391_b0220","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1007\/s10895-007-0261-6","article-title":"Interaction of a new fluorescent probe with DNA and its use in determination of DNA","volume":"18","author":"Wu","year":"2008","journal-title":"Journal of Fluorescence"},{"issue":"3","key":"10.1016\/j.saa.2021.120391_bib221","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1016\/j.jphotobiol.2008.07.008","article-title":"Spectroscopic studies on the interaction of pazufloxacin with calf thymus DNA.","volume":"93","author":"Ling","year":"2008","journal-title":"Journal of Photochemistry and Photobiology B: Biology"},{"key":"10.1016\/j.saa.2021.120391_bib222","doi-asserted-by":"crossref","first-page":"765","DOI":"10.1093\/carcin\/4.6.765","article-title":"Generation of hydrogen peroxide and superoxide anion from active metabolites of naphthylamines and aminoazo dyes: its possible role in carcinogenesis.","volume":"4","author":"Nakayama","year":"1983","journal-title":"Carcinogenesis"},{"issue":"1","key":"10.1016\/j.saa.2021.120391_bib223","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1758-2946-4-17","article-title":"Avogadro: an advanced semantic chemical editor, visualization, and analysis platform.","volume":"4","author":"Hanwell","year":"2012","journal-title":"Journal of cheminformatics"},{"key":"10.1016\/j.saa.2021.120391_bib224","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1016\/j.ejmech.2012.04.037","article-title":"Synthesis of friedelan triterpenoid analogs with DNA topoisomerase II\u03b1 inhibitory activity and their molecular docking studies.","volume":"54","author":"Mandal","year":"2012","journal-title":"European journal of medicinal chemistry."},{"key":"10.1016\/j.saa.2021.120391_bib225","first-page":"278","article-title":"Principles of Fluorescence Spectroscopy, 3rd ed.","author":"Lakowicz","year":"2006","journal-title":"Springer, Berlin"},{"issue":"11","key":"10.1016\/j.saa.2021.120391_bib226","first-page":"1275","article-title":"Effects of UV and visible light radiation on DNA-final base damage.","volume":"378","author":"Cadet","year":"1997","journal-title":"The Journal of Biological Chemistry"},{"key":"10.1016\/j.saa.2021.120391_bib227","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/j.abb.2018.06.005","article-title":"Interaction of pirenzepine with bovine serum albumin and effect of \u03b2-cyclodextrin on binding: A biophysical and molecular docking approach.","volume":"652","author":"Rahman","year":"2018","journal-title":"Archives of biochemistry and biophysics."},{"issue":"2","key":"10.1016\/j.saa.2021.120391_bib228","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1016\/j.tiv.2012.11.004","article-title":"Proposed model for in vitro interaction between fenitrothion and DNA, by using competitive fluorescence, 31P NMR, 1H NMR, FT-IR, CD and molecular modeling.","volume":"27","author":"Ahmadi","year":"2013","journal-title":"Toxicology in Vitro."}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142521009689?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142521009689?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T01:54:37Z","timestamp":1761357277000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142521009689"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,1]]},"references-count":50,"alternative-id":["S1386142521009689"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2021.120391","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2022,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Studying the interaction of scopolamine with calf-thymus DNA: An in-vitro and in-silico approach and genotoxicity","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2021.120391","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"120391"}}