{"id":"https://openalex.org/W4307229481","doi":"https://doi.org/10.1080/07391102.2022.2137243","title":"In vitro and in silico binding studies of phytochemical isochroman with calf thymus DNA using multi-spectroscopic and computational modelling techniques","display_name":"In vitro and in silico binding studies of phytochemical isochroman with calf thymus DNA using multi-spectroscopic and computational modelling techniques","publication_year":2022,"publication_date":"2022-10-25","ids":{"openalex":"https://openalex.org/W4307229481","doi":"https://doi.org/10.1080/07391102.2022.2137243","pmid":"https://pubmed.ncbi.nlm.nih.gov/36281697"},"language":"en","primary_location":{"id":"doi:10.1080/07391102.2022.2137243","doi":"https://doi.org/10.1080/07391102.2022.2137243","is_oa":false,"landing_page_url":"https://doi.org/10.1080/07391102.2022.2137243","pdf_url":null,"source":{"id":"https://openalex.org/S178711970","display_name":"Journal of Biomolecular Structure and Dynamics","issn_l":"0739-1102","issn":["0739-1102","1538-0254"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biomolecular Structure and Dynamics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103682914","display_name":"Sana Fatima","orcid":"https://orcid.org/0000-0002-7810-8957","observed_orcids":["https://orcid.org/0000-0002-7810-8957"]},"institutions":[{"id":"https://openalex.org/I171210897","display_name":"Aligarh Muslim University","ror":"https://ror.org/03kw9gc02","country_code":"IN","type":"education","lineage":["https://openalex.org/I171210897"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sana Fatima","raw_affiliation_strings":["Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089341984","display_name":"Irfan Hussain","orcid":"https://orcid.org/0000-0002-9181-3407","observed_orcids":["https://orcid.org/0000-0002-9181-3407"]},"institutions":[{"id":"https://openalex.org/I171210897","display_name":"Aligarh Muslim University","ror":"https://ror.org/03kw9gc02","country_code":"IN","type":"education","lineage":["https://openalex.org/I171210897"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Irfan Hussain","raw_affiliation_strings":["Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033022366","display_name":"Shahbaz Ahmed","orcid":"https://orcid.org/0000-0002-6732-382X","observed_orcids":["https://orcid.org/0000-0002-6732-382X"]},"institutions":[{"id":"https://openalex.org/I171210897","display_name":"Aligarh Muslim University","ror":"https://ror.org/03kw9gc02","country_code":"IN","type":"education","lineage":["https://openalex.org/I171210897"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Shahbaz Ahmed","raw_affiliation_strings":["Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5090835153","display_name":"Mohammad Tabish","orcid":"https://orcid.org/0000-0001-8737-4088","observed_orcids":["https://orcid.org/0000-0001-8737-4088","https://orcid.org/0000-0002-6159-3538"]},"institutions":[{"id":"https://openalex.org/I171210897","display_name":"Aligarh Muslim University","ror":"https://ror.org/03kw9gc02","country_code":"IN","type":"education","lineage":["https://openalex.org/I171210897"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Mohammad Tabish","raw_affiliation_strings":["Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Faculty of Life Sciences, A.M. University, Aligarh, Uttar Pradesh, India","institution_ids":["https://openalex.org/I171210897"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5090835153"],"corresponding_institution_ids":["https://openalex.org/I171210897"],"apc_list":null,"apc_paid":null,"fwci":0.5111,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.51584379,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"41","issue":"18","first_page":"8795","last_page":"8809"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.9409000277519226,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.9409000277519226,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.039000000804662704,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.00570000009611249,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/isochromans","display_name":"isochromans","score":0.9909999966621399},{"id":"https://openalex.org/keywords/calf-thymus-dna","display_name":"calf thymus DNA","score":0.843999981880188},{"id":"https://openalex.org/keywords/dna-binding","display_name":"DNA binding","score":0.7760000228881836},{"id":"https://openalex.org/keywords/minor-groove-binding","display_name":"minor groove binding","score":0.9070000052452087},{"id":"https://openalex.org/keywords/fluorescence-quenching","display_name":"fluorescence quenching","score":0.8149999976158142},{"id":"https://openalex.org/keywords/stern-volmer-constant","display_name":"Stern-Volmer constant","score":0.7879999876022339},{"id":"https://openalex.org/keywords/binding-constant","display_name":"binding constant","score":0.7670000195503235},{"id":"https://openalex.org/keywords/competitive-binding","display_name":"competitive binding","score":0.4970000088214874},{"id":"https://openalex.org/keywords/dna-melting","display_name":"DNA melting","score":0.5049999952316284},{"id":"https://openalex.org/keywords/circular-dichroism","display_name":"circular dichroism","score":0.902999997138977},{"id":"https://openalex.org/keywords/olea-europaea","display_name":"Olea europaea","score":0.6230000257492065},{"id":"https://openalex.org/keywords/phytochemicals","display_name":"phytochemicals","score":0.8519999980926514},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.7960000038146973},{"id":"https://openalex.org/keywords/toxicity-assessment","display_name":"toxicity prediction","score":0.5740000009536743}],"concepts":[{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.6915384531021118},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6738893389701843},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6324131488800049},{"id":"https://openalex.org/C121745418","wikidata":"https://www.wikidata.org/wiki/Q585536","display_name":"Quenching (fluorescence)","level":3,"score":0.6223573684692383},{"id":"https://openalex.org/C32786932","wikidata":"https://www.wikidata.org/wiki/Q4914013","display_name":"Binding constant","level":3,"score":0.5587326288223267},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.47389402985572815},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4105418920516968},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.35055774450302124},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3373742699623108},{"id":"https://openalex.org/C91881484","wikidata":"https://www.wikidata.org/wiki/Q191807","display_name":"Fluorescence","level":2,"score":0.2923954129219055},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1613989770412445},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1080/07391102.2022.2137243","doi":"https://doi.org/10.1080/07391102.2022.2137243","is_oa":false,"landing_page_url":"https://doi.org/10.1080/07391102.2022.2137243","pdf_url":null,"source":{"id":"https://openalex.org/S178711970","display_name":"Journal of Biomolecular Structure and Dynamics","issn_l":"0739-1102","issn":["0739-1102","1538-0254"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Biomolecular Structure and Dynamics","raw_type":"journal-article"},{"id":"pmid:36281697","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36281697","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of biomolecular structure & dynamics","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":62,"referenced_works":["https://openalex.org/W633600757","https://openalex.org/W1151107813","https://openalex.org/W1592286099","https://openalex.org/W1949594748","https://openalex.org/W1967037562","https://openalex.org/W1967624818","https://openalex.org/W1977369948","https://openalex.org/W1981021420","https://openalex.org/W1984761981","https://openalex.org/W2009690079","https://openalex.org/W2016967573","https://openalex.org/W2020092710","https://openalex.org/W2026485889","https://openalex.org/W2027310997","https://openalex.org/W2028046413","https://openalex.org/W2037504970","https://openalex.org/W2039658296","https://openalex.org/W2043346008","https://openalex.org/W2045683699","https://openalex.org/W2049690758","https://openalex.org/W2050384029","https://openalex.org/W2057020479","https://openalex.org/W2064583588","https://openalex.org/W2066706024","https://openalex.org/W2077163046","https://openalex.org/W2089168523","https://openalex.org/W2098147700","https://openalex.org/W2105668062","https://openalex.org/W2130479394","https://openalex.org/W2132629607","https://openalex.org/W2139851375","https://openalex.org/W2142401692","https://openalex.org/W2144288821","https://openalex.org/W2147325376","https://openalex.org/W2152140565","https://openalex.org/W2165042640","https://openalex.org/W2169576712","https://openalex.org/W2312465570","https://openalex.org/W2508354923","https://openalex.org/W2567218831","https://openalex.org/W2578812784","https://openalex.org/W2584946540","https://openalex.org/W2593436234","https://openalex.org/W2610130814","https://openalex.org/W2620126008","https://openalex.org/W2624854612","https://openalex.org/W2801088198","https://openalex.org/W2809773752","https://openalex.org/W2932761054","https://openalex.org/W2964947252","https://openalex.org/W2999119357","https://openalex.org/W3087629585","https://openalex.org/W3113239629","https://openalex.org/W3159846230","https://openalex.org/W3163245701","https://openalex.org/W3174190849","https://openalex.org/W3203959272","https://openalex.org/W3208050440","https://openalex.org/W4207082005","https://openalex.org/W4221072190","https://openalex.org/W4232866872","https://openalex.org/W4296638066"],"related_works":["https://openalex.org/W2762611949","https://openalex.org/W2083992537","https://openalex.org/W2106858247","https://openalex.org/W6902414583","https://openalex.org/W4410206297","https://openalex.org/W7125613962","https://openalex.org/W2466510596","https://openalex.org/W4306868763","https://openalex.org/W2468313625","https://openalex.org/W4229007331"],"abstract_inverted_index":{"A":[0,82],"wide":[1],"range":[2],"of":[3,16,35,54,84,95,117,127,139,142,180,206],"therapeutic":[4,47],"molecules":[5,18],"uses":[6],"deoxyribonucleic":[7],"acid":[8],"(DNA)":[9],"as":[10],"an":[11],"intracellular":[12],"target.":[13],"The":[14,114,125,192],"interaction":[15,71,93],"small":[17],"to":[19,62,90,155,160],"DNA":[20,76,144,148,185],"is":[21,51],"a":[22,29,52,112],"key":[23],"feature":[24],"in":[25,32,103,176,199],"pharmacology":[26],"and":[27,37,45,101,109,146,150,167,184,208,212,222],"plays":[28],"vital":[30],"role":[31],"the":[33,92,122,157,177],"development":[34],"novel":[36],"more":[38],"efficient":[39],"drugs":[40],"with":[41,97],"increased":[42],"selective":[43],"activity":[44],"enhanced":[46],"effectiveness.":[48],"Isochroman":[49],"(IC)":[50],"constituent":[53],"Olea":[55],"europea":[56],"plant,":[57],"which":[58],"has":[59,87],"been":[60,80,88],"shown":[61],"exhibit":[63],"several":[64],"beneficial":[65],"pharmacological":[66],"activities.":[67],"At":[68],"present,":[69],"its":[70],"studies":[72,105,170],"using":[73],"calf":[74],"thymus":[75],"(ct-DNA)":[77],"have":[78],"not":[79],"explained.":[81],"set":[83],"multi-spectroscopic":[85],"techniques":[86],"performed":[89],"determine":[91],"mechanism":[94],"isochroman":[96,108,158,174],"ct-DNA.":[98,161,181],"Absorption":[99],"spectra":[100],"quenching":[102,118,165],"fluorescence":[104],"show":[106],"that":[107,173],"ct-DNA":[110],"form":[111],"complex.":[113],"static":[115],"mode":[116],"was":[119],"determined":[120],"by":[121,225],"Stern-Volmer":[123],"plot.":[124],"value":[126],"binding":[128,159,169],"constant,":[129],"Kb":[130],"=":[131],"4.0":[132],"\u00d7":[133],"103":[134],"M\u22121":[135],"revealed":[136],"moderate":[137],"type":[138],"binding.":[140],"Effects":[141],"single-stranded":[143],"(ssDNA)":[145],"double-stranded":[147],"(dsDNA)":[149],"ionic":[151],"strength":[152],"were":[153,195],"studied":[154],"examine":[156],"Potassium":[162],"iodide":[163],"(KI)":[164],"effects":[166],"competitive":[168],"clearly":[171],"showed":[172,210],"binds":[175],"minor":[178],"groove":[179],"Circular":[182],"dichroic":[183],"melting":[186],"experiments":[187],"also":[188],"confirmed":[189],"these":[190],"results.":[191],"experimental":[193],"outputs":[194],"further":[196],"corroborated":[197],"via":[198],"silico":[200],"computational":[201],"modelling":[202],"studies.":[203],"Lipinski\u2019s":[204],"rule":[205],"5":[207],"SwissADME":[209],"drug-likeness":[211],"oral":[213,221],"bioavailability":[214],"scores.":[215],"Protox":[216],"\u0406\u0406":[217],"online":[218],"software":[219],"predicts":[220],"organ":[223],"toxicity.Communicated":[224],"Ramaswamy":[226],"H.":[227],"Sarma":[228]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2022-10-30T00:00:00"}
