{"id":"https://openalex.org/W7201848555","doi":"https://doi.org/10.1016/j.molliq.2026.129838","title":"Probing the binding mechanism of chemotherapeutic drug, procarbazine with BSA using multi-spectroscopic, calorimetric and computational techniques","display_name":"Probing the binding mechanism of chemotherapeutic drug, procarbazine with BSA using multi-spectroscopic, calorimetric and computational techniques","publication_year":2026,"publication_date":"2026-08-07","ids":{"openalex":"https://openalex.org/W7201848555","doi":"https://doi.org/10.1016/j.molliq.2026.129838"},"language":"en","primary_location":{"id":"doi:10.1016/j.molliq.2026.129838","doi":"https://doi.org/10.1016/j.molliq.2026.129838","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.molliq.2026.129838","pdf_url":null,"source":{"id":"https://openalex.org/S189140625","display_name":"Journal of Molecular Liquids","issn_l":"0167-7322","issn":["0167-7322","1873-3166"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Liquids","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1016/j.molliq.2026.129838","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5097873552","display_name":"Adil Mahammad","orcid":"https://orcid.org/0000-0001-7395-4014","observed_orcids":["https://orcid.org/0000-0001-7395-4014"]},"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":"Adil Mahammad","raw_affiliation_strings":["Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108892518","display_name":"Insha Akbar","orcid":null,"observed_orcids":[]},"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":"Insha Akbar","raw_affiliation_strings":["Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079200793","display_name":"Riyazuddeen","orcid":"https://orcid.org/0000-0002-2745-0592","observed_orcids":["https://orcid.org/0000-0002-2745-0592"]},"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":"Riyazuddeen","raw_affiliation_strings":["Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049584448","display_name":"Samima Khatun","orcid":"https://orcid.org/0000-0002-3322-9915","observed_orcids":["https://orcid.org/0000-0002-3322-9915"]},"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":"Samima Khatun","raw_affiliation_strings":["Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086477439","display_name":"Malik Raihan Ahmad","orcid":"https://orcid.org/0009-0002-9180-0670","observed_orcids":["https://orcid.org/0009-0002-9180-0670"]},"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":"Malik Raihan Ahmad","raw_affiliation_strings":["Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Aligarh Muslim University, Aligarh, UP., India","institution_ids":["https://openalex.org/I171210897"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5145983565","display_name":"Mohd. Sajid Ali","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I28022161","display_name":"King Saud University","ror":"https://ror.org/02f81g417","country_code":"SA","type":"education","lineage":["https://openalex.org/I28022161"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Mohd. Sajid Ali","raw_affiliation_strings":["Department of Chemistry, College of Science, King Saud University, Riyad, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Science, King Saud University, Riyad, Saudi Arabia","institution_ids":["https://openalex.org/I28022161"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5126012840","display_name":"Deepika Dhillon","orcid":"https://orcid.org/0009-0006-5539-4571","observed_orcids":["https://orcid.org/0009-0006-5539-4571"]},"institutions":[{"id":"https://openalex.org/I74885063","display_name":"Sharda University","ror":"https://ror.org/03b6ffh07","country_code":"IN","type":"education","lineage":["https://openalex.org/I74885063"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Deepika Dhillon","raw_affiliation_strings":["Department of Biotechnology, Sharda School of Bio-Science and Technology, Sharda University, Greater Noida, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biotechnology, Sharda School of Bio-Science and Technology, Sharda University, Greater Noida, India","institution_ids":["https://openalex.org/I74885063"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5061275476","display_name":"Jayaraman Muthukumaran","orcid":"https://orcid.org/0000-0002-0953-1196","observed_orcids":["https://orcid.org/0000-0002-0953-1196"]},"institutions":[{"id":"https://openalex.org/I74885063","display_name":"Sharda University","ror":"https://ror.org/03b6ffh07","country_code":"IN","type":"education","lineage":["https://openalex.org/I74885063"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Jayaraman Muthukumaran","raw_affiliation_strings":["Department of Biotechnology, Sharda School of Bio-Science and Technology, Sharda University, Greater Noida, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biotechnology, Sharda School of Bio-Science and Technology, Sharda University, Greater Noida, India","institution_ids":["https://openalex.org/I74885063"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5079200793"],"corresponding_institution_ids":["https://openalex.org/I171210897"],"apc_list":{"value":3480,"currency":"USD","value_usd":3480},"apc_paid":{"value":3480,"currency":"USD","value_usd":3480},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.55703854,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"459","issue":null,"first_page":"129838","last_page":"129838"},"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":1.0,"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":1.0,"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/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.0,"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"}},{"id":"https://openalex.org/T13539","display_name":"thermodynamics and calorimetric analyses","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/procarbazine","display_name":"procarbazine","score":0.9990000128746033},{"id":"https://openalex.org/keywords/bovine-serum-albumin","display_name":"bovine serum albumin","score":0.9829999804496765},{"id":"https://openalex.org/keywords/drug-protein-binding","display_name":"drug-protein binding","score":0.8339999914169312},{"id":"https://openalex.org/keywords/binding-mechanism","display_name":"binding mechanism","score":0.9919999837875366},{"id":"https://openalex.org/keywords/chemotherapeutic-drugs","display_name":"chemotherapeutic drugs","score":0.6959999799728394},{"id":"https://openalex.org/keywords/protein-ligand-interactions","display_name":"protein-ligand interactions","score":0.6579999923706055},{"id":"https://openalex.org/keywords/binding-thermodynamics","display_name":"binding thermodynamics","score":0.5630000233650208}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8104000091552734},{"id":"https://openalex.org/C2779112685","wikidata":"https://www.wikidata.org/wiki/Q418656","display_name":"Procarbazine","level":5,"score":0.7113999724388123},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.48179998993873596},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4214000105857849},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4043000042438507},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.36000001430511475},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.32170000672340393},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.2718000113964081},{"id":"https://openalex.org/C2776120743","wikidata":"https://www.wikidata.org/wiki/Q3271540","display_name":"Mechanism of action","level":3,"score":0.27090001106262207},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.25450000166893005}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molliq.2026.129838","doi":"https://doi.org/10.1016/j.molliq.2026.129838","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.molliq.2026.129838","pdf_url":null,"source":{"id":"https://openalex.org/S189140625","display_name":"Journal of Molecular Liquids","issn_l":"0167-7322","issn":["0167-7322","1873-3166"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Liquids","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1016/j.molliq.2026.129838","doi":"https://doi.org/10.1016/j.molliq.2026.129838","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.molliq.2026.129838","pdf_url":null,"source":{"id":"https://openalex.org/S189140625","display_name":"Journal of Molecular Liquids","issn_l":"0167-7322","issn":["0167-7322","1873-3166"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Liquids","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.46810001134872437,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4023545853","display_name":null,"funder_award_id":"ORF-2026-724","funder_id":"https://openalex.org/F4320321145","funder_display_name":"King Saud University"}],"funders":[{"id":"https://openalex.org/F4320320767","display_name":"University Grants Commission","ror":"https://ror.org/04p800546"},{"id":"https://openalex.org/F4320321145","display_name":"King Saud University","ror":"https://ror.org/02f81g417"},{"id":"https://openalex.org/F4320322724","display_name":"Ministry of Education, India","ror":"https://ror.org/048xjjh50"},{"id":"https://openalex.org/F4320335334","display_name":"Defence Science and Technology Group","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W1757990252","https://openalex.org/W1964200863","https://openalex.org/W1970532901","https://openalex.org/W1980457666","https://openalex.org/W1987205935","https://openalex.org/W1992563984","https://openalex.org/W1998363879","https://openalex.org/W2020891464","https://openalex.org/W2029053759","https://openalex.org/W2049799320","https://openalex.org/W2054349425","https://openalex.org/W2069075086","https://openalex.org/W2087797534","https://openalex.org/W2094500627","https://openalex.org/W2099321295","https://openalex.org/W2106377879","https://openalex.org/W2109327588","https://openalex.org/W2135198963","https://openalex.org/W2141556435","https://openalex.org/W2325513381","https://openalex.org/W2442896438","https://openalex.org/W2483727766","https://openalex.org/W2604337791","https://openalex.org/W2789406828","https://openalex.org/W2789644926","https://openalex.org/W2803311887","https://openalex.org/W2810418768","https://openalex.org/W2896996997","https://openalex.org/W2919909649","https://openalex.org/W2924317848","https://openalex.org/W3029005953","https://openalex.org/W3033106459","https://openalex.org/W3094640617","https://openalex.org/W3157723688","https://openalex.org/W3204645407","https://openalex.org/W3211697330","https://openalex.org/W4205583416","https://openalex.org/W4294912151","https://openalex.org/W4387164156","https://openalex.org/W4400842807","https://openalex.org/W4404723292","https://openalex.org/W4409764845","https://openalex.org/W4410083322","https://openalex.org/W4414184980","https://openalex.org/W7118175685","https://openalex.org/W7153477706","https://openalex.org/W7162199991"],"related_works":[],"abstract_inverted_index":{"Understanding":[0],"drug\u2013protein":[1],"interactions":[2,23,211],"in":[3,25,246,303,320,350],"buffer":[4],"media":[5],"is":[6],"essential":[7],"for":[8],"unravel":[9],"the":[10,22,29,250,253,259,294,321,332],"pharmacokinetics":[11],"and":[12,42,51,116,147,158,171,189,209,237,255,296,311,335,348],"therapeutic":[13],"efficacy":[14],"of":[15,28,60,73,107,123,137,151,179,205,252,262,271,284,324,338,345],"drug.":[16],"In":[17],"this":[18],"project,":[19],"we":[20],"explore":[21],"involved":[24],"binding":[26,71,135,149,197,219,336],"mechanism":[27],"chemotherapeutic":[30],"drug":[31,346],"procarbazine":[32],"(PCZ)":[33],"with":[34,48,69,145,207,212],"BSA":[35,61],"(Bovine":[36],"Serum":[37],"Albumin)":[38],"using":[39],"a":[40,70,95,101,117,133,176],"multi-spectroscopic":[41],"computational":[43,256],"approaches.":[44],"UV\u2013Visible":[45,82],"absorption":[46],"together":[47],"steady-state,":[49],"synchronous,":[50],"3D-excitation":[52],"emission":[53],"matrix":[54],"fluorescence":[55,62,224],"spectroscopy":[56,83,173,225],"reveal":[57],"static":[58],"quenching":[59,92,97,103],"upon":[63,287],"PCZ":[64,196],"addition,":[65],"suggesting":[66],"complex":[67,264],"formation":[68,204],"constant":[72,98,104,136],"1.36":[74],"\u00d7":[75,109,139,153,160],"10":[76,110,140,154,161],"5":[77],"M":[78,142,156,163],"\u22121":[79,113,115,127,143,157,164,229,235,243],"obtained":[80,222],"from":[81,182,223],"accompanied":[84],"by":[85,267],"microenvironmental":[86],"alterations":[87],"around":[88],"aromatic":[89],"residues.":[90,216],"Fluorescence":[91],"analysis":[93,277],"yielded":[94],"Stern\u2013Volmer":[96],"corresponding":[99],"to":[100,184],"bimolecular":[102],"(K":[105],"q":[106],"11.23":[108],"13":[111],"Lmol":[112],"s":[114],"Gibbs":[118,218],"free":[119,220,295],"energy":[120,305],"change":[121],"(\u0394G\u00b0)":[122],"\u221229.21":[124],"kJ":[125,227,233,241],"mol":[126,228,234,242],".":[128],"Isothermal":[129],"titration":[130],"calorimetry":[131],"revealed":[132,300],"cumulative":[134],"4.57":[138],"\u22125":[141],",":[144,165,230],"primary":[146],"secondary":[148,190],"constants":[150],"4.02":[152],"\u22123":[155],"1.20":[159],"2":[162],"respectively.":[166],"Raman":[167],"Spectroscopy,":[168],"Circular":[169],"Dichroism":[170],"FTIR":[172],"further":[174],"indicated":[175],"significant":[177],"reduction":[178],"\u03b1-helical":[180],"content":[181],"66.51%":[183],"56.88%,":[185],"reflecting":[186],"partial":[187],"unfolding":[188],"structural":[191],"rearrangements.":[192],"Molecular":[193,268],"docking":[194,239],"identified":[195],"near":[198],"Sudlow":[199],"site":[200],"I,":[201],"stabilized":[202],"through":[203],"H-bond":[206],"Asp323":[208],"hydrophobic":[210,285],"surrounding":[213],"amino":[214],"acid":[215],"The":[217],"energies":[221],"(\u221229.21":[226],"ITC":[231],"(\u221231.36":[232],"),":[236],"molecular":[238],"(\u221228.45":[240],")":[244],"were":[245],"close":[247],"agreement,":[248],"supporting":[249],"consistency":[251],"experimental":[254],"findings.":[257],"Further,":[258],"conformational":[260,333],"stability":[261,349],"drug-protein":[263],"was":[265],"confirmed":[266],"dynamics":[269,334],"simulations":[270],"100":[272],"ns":[273],"period,":[274],"while":[275],"SASA":[276],"showed":[278],"increased":[279],"solvent":[280],"exposure":[281],"(171.03":[282],"\u00c5)":[283],"residues":[286],"binding.":[288],"Complementary":[289],"DFT":[290],"calculations":[291],"performed":[292],"on":[293],"docking-derived":[297],"ligand":[298],"conformations":[299],"small":[301],"variations":[302],"HOMO\u2013LUMO":[304],"gap":[306],"(5.116":[307],"\u2192":[308],"5.037":[309],"eV)":[310],"global":[312],"reactivity":[313],"descriptors,":[314],"indicating":[315],"modest":[316],"conformationally":[317],"induced":[318],"changes":[319],"electronic":[322],"properties":[323],"procarbazine.":[325],"These":[326],"findings":[327],"provide":[328],"comprehensive":[329],"insights":[330],"into":[331],"energetics":[337],"BSA-PCZ":[339],"interactions,":[340],"advancing":[341],"our":[342],"molecular-level":[343],"understanding":[344],"transport":[347],"biological":[351],"fluids.":[352]},"counts_by_year":[],"updated_date":"2026-09-30T09:27:27.532063","created_date":"2026-08-08T00:00:00"}
