{"id":"https://openalex.org/W2904952811","doi":"https://doi.org/10.1145/3291757.3291763","title":"Molecular Docking Reveals Pitavastatin and Related Molecules Antagonize 1DHF and Its Pseudogene DHFR2 in Cancer Treatment","display_name":"Molecular Docking Reveals Pitavastatin and Related Molecules Antagonize 1DHF and Its Pseudogene DHFR2 in Cancer Treatment","publication_year":2018,"publication_date":"2018-12-10","ids":{"openalex":"https://openalex.org/W2904952811","doi":"https://doi.org/10.1145/3291757.3291763","mag":"2904952811"},"language":"en","primary_location":{"id":"doi:10.1145/3291757.3291763","doi":"https://doi.org/10.1145/3291757.3291763","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3291757.3291763","pdf_url":null,"source":{"id":"https://openalex.org/S4306419010","display_name":"International Conference Computational Systems-Biology and Bioinformatics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 9th International Conference on Computational Systems-Biology and Bioinformatics","raw_type":"proceedings-article"},"volume":null,"type":"conference-paper","is_traditional":true,"indexed_in":["crossref"],"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/A5056862346","display_name":"Eva Rahman Kabir","orcid":"https://orcid.org/0000-0001-9016-0865","observed_orcids":["https://orcid.org/0000-0001-9016-0865"]},"institutions":[{"id":"https://openalex.org/I5518804","display_name":"BRAC University","ror":"https://ror.org/00sge8677","country_code":"BD","type":"education","lineage":["https://openalex.org/I5518804"]}],"countries":["BD"],"is_corresponding":false,"raw_author_name":"Eva Rahman Kabir","raw_affiliation_strings":["Department of Pharmacy, BRAC University, Dhaka Bangladesh"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, BRAC University, Dhaka Bangladesh","institution_ids":["https://openalex.org/I5518804"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078649752","display_name":"Mohammad Kawsar Sharif Siam","orcid":"https://orcid.org/0000-0001-8882-6381","observed_orcids":["https://orcid.org/0000-0001-8882-6381"]},"institutions":[{"id":"https://openalex.org/I5518804","display_name":"BRAC University","ror":"https://ror.org/00sge8677","country_code":"BD","type":"education","lineage":["https://openalex.org/I5518804"]}],"countries":["BD"],"is_corresponding":false,"raw_author_name":"Mohammad Kawsar Sharif Siam","raw_affiliation_strings":["Department of Pharmacy, BRAC University, Dhaka Bangladesh"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, BRAC University, Dhaka Bangladesh","institution_ids":["https://openalex.org/I5518804"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Nashrah Mustafa","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I5518804","display_name":"BRAC University","ror":"https://ror.org/00sge8677","country_code":"BD","type":"education","lineage":["https://openalex.org/I5518804"]}],"countries":["BD"],"is_corresponding":false,"raw_author_name":"Nashrah Mustafa","raw_affiliation_strings":["Department of Pharmacy, BRAC University, Dhaka Bangladesh"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, BRAC University, Dhaka Bangladesh","institution_ids":["https://openalex.org/I5518804"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5010070113","display_name":"Sanam Madihah Kabir","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I5518804","display_name":"BRAC University","ror":"https://ror.org/00sge8677","country_code":"BD","type":"education","lineage":["https://openalex.org/I5518804"]}],"countries":["BD"],"is_corresponding":false,"raw_author_name":"Sanam Madihah Kabir","raw_affiliation_strings":["Eva Kabir Lab, Department of Pharmacy, BRAC University, Dhaka Bangladesh"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eva Kabir Lab, Department of Pharmacy, BRAC University, Dhaka Bangladesh","institution_ids":["https://openalex.org/I5518804"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I5518804"],"apc_list":null,"apc_paid":null,"fwci":2.0607,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.90880503,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"9"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9907000064849854,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9907000064849854,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12465","display_name":"Cancer, Lipids, and Metabolism","score":0.0027000000700354576,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.0017000000225380063,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/pitavastatin","display_name":"pitavastatin","score":1.0},{"id":"https://openalex.org/keywords/dihydrofolate-reductase","display_name":"dihydrofolate reductase","score":0.8920000195503235},{"id":"https://openalex.org/keywords/statins","display_name":"statins","score":0.7519999742507935},{"id":"https://openalex.org/keywords/drug-repurposing","display_name":"drug repurposing","score":0.9190000295639038},{"id":"https://openalex.org/keywords/cancer","display_name":"cancer","score":0.3400000035762787},{"id":"https://openalex.org/keywords/folate-biosynthesis","display_name":"folate biosynthesis","score":0.8970000147819519},{"id":"https://openalex.org/keywords/cholesterol-accumulation","display_name":"cholesterol accumulation","score":0.6069999933242798},{"id":"https://openalex.org/keywords/protein-ligand-binding-affinity","display_name":"protein-ligand binding affinity","score":0.8220000267028809},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5889999866485596},{"id":"https://openalex.org/keywords/anticancer-drug-targets","display_name":"anticancer drug targets","score":0.5770000219345093}],"concepts":[{"id":"https://openalex.org/C2776692505","wikidata":"https://www.wikidata.org/wiki/Q412677","display_name":"Pitavastatin","level":3,"score":0.7226132154464722},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7176832556724548},{"id":"https://openalex.org/C34957205","wikidata":"https://www.wikidata.org/wiki/Q277338","display_name":"Pseudogene","level":4,"score":0.6134536862373352},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4775291681289673},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3595784902572632},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.32922255992889404},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.30200332403182983},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.23699289560317993},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2188689112663269},{"id":"https://openalex.org/C141231307","wikidata":"https://www.wikidata.org/wiki/Q7020","display_name":"Genome","level":3,"score":0.19443175196647644},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.15610036253929138},{"id":"https://openalex.org/C2776839432","wikidata":"https://www.wikidata.org/wiki/Q954845","display_name":"Statin","level":2,"score":0.13830134272575378},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3291757.3291763","doi":"https://doi.org/10.1145/3291757.3291763","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3291757.3291763","pdf_url":null,"source":{"id":"https://openalex.org/S4306419010","display_name":"International Conference Computational Systems-Biology and Bioinformatics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 9th International Conference on Computational Systems-Biology and Bioinformatics","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.98580002784729,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":37,"referenced_works":["https://openalex.org/W69624016","https://openalex.org/W1503386326","https://openalex.org/W1536886974","https://openalex.org/W1887624773","https://openalex.org/W1939456503","https://openalex.org/W1968217711","https://openalex.org/W1973035681","https://openalex.org/W2006169630","https://openalex.org/W2010219980","https://openalex.org/W2015518585","https://openalex.org/W2018082367","https://openalex.org/W2018962781","https://openalex.org/W2033405874","https://openalex.org/W2039641714","https://openalex.org/W2039944972","https://openalex.org/W2047316036","https://openalex.org/W2053134310","https://openalex.org/W2055043387","https://openalex.org/W2062941476","https://openalex.org/W2069663555","https://openalex.org/W2071486470","https://openalex.org/W2074986801","https://openalex.org/W2102993309","https://openalex.org/W2106154817","https://openalex.org/W2127518692","https://openalex.org/W2130479394","https://openalex.org/W2136787003","https://openalex.org/W2139942857","https://openalex.org/W2150444353","https://openalex.org/W2166225722","https://openalex.org/W2167898988","https://openalex.org/W2177317049","https://openalex.org/W2619948933","https://openalex.org/W2751260413","https://openalex.org/W2774111154","https://openalex.org/W2775169407","https://openalex.org/W4244736178"],"related_works":["https://openalex.org/W2774111154","https://openalex.org/W7166884015","https://openalex.org/W2551454743","https://openalex.org/W4323532727","https://openalex.org/W2911265795","https://openalex.org/W4317506066","https://openalex.org/W4220966853","https://openalex.org/W3122701998","https://openalex.org/W2570800025","https://openalex.org/W1607411478"],"abstract_inverted_index":{"One":[0],"of":[1,17,75,78,103,112,115,137,146,154,233,256],"the":[2,11,113,135,138,144,159,174,181,201,231,254],"ways":[3],"in":[4,37,50,90,200,253],"which":[5],"cancer":[6,51,69,234,257],"may":[7],"develop":[8],"is":[9,40,47],"via":[10],"folic":[12],"acid":[13],"biosynthetic":[14],"pathway.":[15],"Disruption":[16],"this":[18,38,82],"pathway":[19],"has":[20],"a":[21,55,99],"toxic":[22],"effect":[23],"on":[24],"rapidly":[25],"proliferating":[26],"cells.":[27],"The":[28,110,165,185,195,221],"enzyme":[29,46],"dihydrofolate":[30],"reductase":[31],"(DHFR),":[32],"referred":[33],"to,":[34],"as":[35,238],"1DHF":[36,104,116,128,190,250],"paper,":[39],"critical":[41],"for":[42,58],"DNA":[43],"synthesis.":[44],"This":[45,242],"highly":[48],"expressed":[49],"cells,":[52],"making":[53],"it":[54],"potential":[56,100,175],"target":[57],"anti-cancer":[59,76,240],"drug":[60,84],"development.":[61],"A":[62,124],"positive":[63],"correlation":[64],"between":[65],"cholesterol":[66],"accumulation":[67],"and":[68,88,105,150,191,211,215,217,251,258],"provides":[70,223],"insight":[71],"into":[72],"further":[73],"investigation":[74],"indication":[77,225],"statin":[79,101,155,176,245],"drugs.":[80],"In":[81],"study,":[83],"repurposing,":[85],"data":[86],"science":[87],"other":[89],"silico":[91],"computational":[92],"methods":[93],"have":[94],"been":[95],"utilized":[96],"to":[97,127],"find":[98],"antagonist":[102],"its":[106],"functional":[107],"pseudogene,":[108],"DHFR2.":[109,194,220],"resolution":[111],"structure":[114,136],"retrieved":[117],"from":[118],"RCSB":[119],"PDB":[120],"was":[121,129,141],"2.3":[122],"\u00c5.":[123],"protein":[125,132],"similar":[126],"identified":[130,169],"using":[131,163,170],"BLAST.":[133],"Furthermore,":[134],"protein,":[139],"DHFR2":[140,252],"validated":[142],"with":[143,157,189,193,213,219],"help":[145],"z-scores,":[147],"Errat":[148],"results":[149],"Ramachandran":[151],"plot.":[152],"Docking":[153],"drugs":[156,177,246],"both":[158,249],"proteins":[160],"were":[161,168,187],"done":[162],"PyRx.":[164],"drug-protein":[166],"interactions":[167,203],"Discovery":[171],"Studio.":[172],"Among":[173],"chosen,":[178],"pitavastatin":[179,227,261],"showed":[180],"highest":[182],"binding":[183],"affinities.":[184],"values":[186],"-12.7kcal/mol":[188],"-10kcal/mol":[192],"important":[196],"amino":[197],"acids":[198],"involved":[199],"non-bonding":[202],"include":[204],"THR56,":[205],"TYR121,":[206],"ILE7,":[207],"VAL115,":[208],"PHE31,":[209],"PHE34,":[210],"LEU22":[212],"1DHF,":[214],"PHE32":[216],"PRO27":[218],"study":[222,243],"strong":[224],"that":[226,247,260],"could":[228],"possibly":[229],"reduce":[230],"risk":[232],"development":[235],"when":[236],"administered":[237],"an":[239],"drug.":[241],"investigates":[244],"targeted":[248],"treatment":[255],"found":[259],"demonstrated":[262],"such":[263],"effect.":[264]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2018-12-22T00:00:00"}
