{"id":"https://openalex.org/W4310165415","doi":"https://doi.org/10.1080/07391102.2022.2148752","title":"Understanding hypocholesterolemic activity of soy isoflavones: Completing the puzzle through computational simulations","display_name":"Understanding hypocholesterolemic activity of soy isoflavones: Completing the puzzle through computational simulations","publication_year":2022,"publication_date":"2022-11-28","ids":{"openalex":"https://openalex.org/W4310165415","doi":"https://doi.org/10.1080/07391102.2022.2148752","pmid":"https://pubmed.ncbi.nlm.nih.gov/36443895"},"language":"en","primary_location":{"id":"doi:10.1080/07391102.2022.2148752","doi":"https://doi.org/10.1080/07391102.2022.2148752","is_oa":true,"landing_page_url":"https://doi.org/10.1080/07391102.2022.2148752","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":"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 Biomolecular Structure and Dynamics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1080/07391102.2022.2148752","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5071611751","display_name":"Feri Eko Hermanto","orcid":"https://orcid.org/0000-0002-6955-3688","observed_orcids":["https://orcid.org/0000-0002-6955-3688"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":false,"raw_author_name":"Feri Eko Hermanto","raw_affiliation_strings":["Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia"],"raw_orcid":"https://orcid.org/0000-0002-6955-3688","affiliations":[{"raw_affiliation_string":"Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020142598","display_name":"Warsito Warsito","orcid":"https://orcid.org/0000-0002-8962-819X","observed_orcids":["https://orcid.org/0000-0002-8962-819X"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":false,"raw_author_name":"Warsito Warsito","raw_affiliation_strings":["Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia","Essential Oil Institute, Universitas Brawijaya, Malang, Indonesia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]},{"raw_affiliation_string":"Essential Oil Institute, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061358082","display_name":"Muhaimin Rifa\u2019i","orcid":"https://orcid.org/0000-0001-5731-2951","observed_orcids":["https://orcid.org/0000-0001-5731-2951"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":false,"raw_author_name":"Muhaimin Rifa\u2019i","raw_affiliation_strings":["Biosystem Study Center, Universitas Brawijaya, Malang, Indonesia","Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia"],"raw_orcid":"https://orcid.org/0000-0001-5731-2951","affiliations":[{"raw_affiliation_string":"Biosystem Study Center, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]},{"raw_affiliation_string":"Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100600491","display_name":"Nashi Widodo","orcid":"https://orcid.org/0000-0002-1126-498X","observed_orcids":["https://orcid.org/0000-0002-1126-498X"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":true,"raw_author_name":"Nashi Widodo","raw_affiliation_strings":["Biosystem Study Center, Universitas Brawijaya, Malang, Indonesia","Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia"],"raw_orcid":"https://orcid.org/0000-0002-1126-498X","affiliations":[{"raw_affiliation_string":"Biosystem Study Center, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]},{"raw_affiliation_string":"Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5100600491"],"corresponding_institution_ids":["https://openalex.org/I177055848"],"apc_list":null,"apc_paid":null,"fwci":2.2006,"has_fulltext":false,"cited_by_count":19,"citation_normalized_percentile":{"value":0.88364333,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"41","issue":"19","first_page":"9931","last_page":"9937"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11318","display_name":"Phytoestrogen effects and research","score":0.7026000022888184,"subfield":{"id":"https://openalex.org/subfields/2734","display_name":"Pathology and Forensic Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11318","display_name":"Phytoestrogen effects and research","score":0.7026000022888184,"subfield":{"id":"https://openalex.org/subfields/2734","display_name":"Pathology and Forensic Medicine"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.22709999978542328,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12257","display_name":"Bioactive natural compounds","score":0.017400000244379044,"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/soy-isoflavones","display_name":"soy isoflavones","score":0.9980000257492065},{"id":"https://openalex.org/keywords/hypocholesterolemic-activity","display_name":"hypocholesterolemic activity","score":0.9879999756813049},{"id":"https://openalex.org/keywords/hmgcr-inhibition","display_name":"HMGCR inhibition","score":0.7689999938011169},{"id":"https://openalex.org/keywords/srebp-2","display_name":"SREBP2","score":0.8799999952316284},{"id":"https://openalex.org/keywords/pcsk9","display_name":"PCSK9","score":0.9990000128746033},{"id":"https://openalex.org/keywords/cholesterol-synthesis","display_name":"cholesterol biosynthesis","score":0.9789999723434448},{"id":"https://openalex.org/keywords/hypercholesterolemia","display_name":"hypercholesterolemia","score":0.8610000014305115},{"id":"https://openalex.org/keywords/protein-ligand-binding","display_name":"protein-ligand binding","score":0.7549999952316284},{"id":"https://openalex.org/keywords/glyceollin","display_name":"glyceollin","score":0.5799999833106995},{"id":"https://openalex.org/keywords/genistein","display_name":"genistein","score":0.9490000009536743},{"id":"https://openalex.org/keywords/genistin","display_name":"genistin","score":0.906000018119812},{"id":"https://openalex.org/keywords/simvastatin","display_name":"simvastatin","score":0.8100000023841858},{"id":"https://openalex.org/keywords/toxicity-assessment","display_name":"toxicity prediction","score":0.578000009059906},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.621999979019165}],"concepts":[{"id":"https://openalex.org/C2777504804","wikidata":"https://www.wikidata.org/wiki/Q5533221","display_name":"Genistin","level":4,"score":0.8602150678634644},{"id":"https://openalex.org/C2778298627","wikidata":"https://www.wikidata.org/wiki/Q415957","display_name":"Genistein","level":2,"score":0.8344465494155884},{"id":"https://openalex.org/C2779705811","wikidata":"https://www.wikidata.org/wiki/Q412519","display_name":"Isoflavones","level":2,"score":0.8092364072799683},{"id":"https://openalex.org/C2780955279","wikidata":"https://www.wikidata.org/wiki/Q408732","display_name":"Daidzein","level":3,"score":0.7377142906188965},{"id":"https://openalex.org/C2780644575","wikidata":"https://www.wikidata.org/wiki/Q3109347","display_name":"Glycitein","level":4,"score":0.6997144818305969},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5536037683486938},{"id":"https://openalex.org/C2777452348","wikidata":"https://www.wikidata.org/wiki/Q3814656","display_name":"Daidzin","level":4,"score":0.4904901683330536},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.47763291001319885},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.28028130531311035},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","level":1,"score":0.1969495713710785}],"mesh":[{"descriptor_ui":"D000071449","descriptor_name":"Proprotein Convertase 9","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002784","descriptor_name":"Cholesterol","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007529","descriptor_name":"Isoflavones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D019821","descriptor_name":"Simvastatin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019833","descriptor_name":"Genistein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1080/07391102.2022.2148752","doi":"https://doi.org/10.1080/07391102.2022.2148752","is_oa":true,"landing_page_url":"https://doi.org/10.1080/07391102.2022.2148752","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":"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 Biomolecular Structure and Dynamics","raw_type":"journal-article"},{"id":"pmid:36443895","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36443895","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":{"id":"doi:10.1080/07391102.2022.2148752","doi":"https://doi.org/10.1080/07391102.2022.2148752","is_oa":true,"landing_page_url":"https://doi.org/10.1080/07391102.2022.2148752","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":"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 Biomolecular Structure and Dynamics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.6240000128746033}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320331011","display_name":"Kementerian Riset dan Teknologi /Badan Riset dan Inovasi Nasional","ror":"https://ror.org/02hmjzt55"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W1220721051","https://openalex.org/W1887624773","https://openalex.org/W1932605991","https://openalex.org/W1963514652","https://openalex.org/W2011697200","https://openalex.org/W2038742911","https://openalex.org/W2047932628","https://openalex.org/W2063093772","https://openalex.org/W2063700981","https://openalex.org/W2065782736","https://openalex.org/W2094064960","https://openalex.org/W2104502364","https://openalex.org/W2105668062","https://openalex.org/W2108482921","https://openalex.org/W2127791131","https://openalex.org/W2131253747","https://openalex.org/W2157406373","https://openalex.org/W2158534713","https://openalex.org/W2161217090","https://openalex.org/W2166999721","https://openalex.org/W2323270048","https://openalex.org/W2404280981","https://openalex.org/W2472004188","https://openalex.org/W2594642682","https://openalex.org/W2602222860","https://openalex.org/W2752803806","https://openalex.org/W2776910835","https://openalex.org/W2801088198","https://openalex.org/W2903318135","https://openalex.org/W2961065170","https://openalex.org/W2969244347","https://openalex.org/W3016096305","https://openalex.org/W3033499384","https://openalex.org/W3080535073","https://openalex.org/W3114717537","https://openalex.org/W3135445843","https://openalex.org/W4407360012","https://openalex.org/W6941231612"],"related_works":["https://openalex.org/W2604053255","https://openalex.org/W2350373762","https://openalex.org/W4310898236","https://openalex.org/W2161217090","https://openalex.org/W2043610521","https://openalex.org/W2360851090","https://openalex.org/W2416969782","https://openalex.org/W2979865045","https://openalex.org/W2053513438","https://openalex.org/W1930445440"],"abstract_inverted_index":{"The":[0],"hypocholesterolemic":[1,208],"activity":[2,15,209],"of":[3,24,28,100,103,139,162,184,210],"soy":[4,29,211],"isoflavones":[5,30,130,164,187,200,212],"has":[6],"been":[7],"studied,":[8],"but":[9,123],"the":[10,14,21,25,185,191,207,217],"exact":[11],"mechanism":[12,23],"underlying":[13],"remains":[16],"unclear.":[17],"This":[18],"study":[19],"reveals":[20],"proposed":[22],"cholesterol-lowering":[26],"effect":[27],"by":[31,215,221],"computational":[32],"simulations.":[33,178],"Daidzin,":[34],"Glycitin,":[35,108],"Genistin,":[36,109],"Daidzein,":[37],"Glycitein,":[38],"Genistein,":[39,110],"Glyceollin":[40,42,45,111,114],"I,":[41],"II,":[43,112],"and":[44,59,113,127,155,203],"III":[46],"were":[47,116,131,201],"selected":[48],"to":[49,94,118,150,175,194],"be":[50,119,195],"analyzed":[51,90],"their":[52],"interaction":[53,88],"with":[54,125,134,142,167,169],"3-Hydroxy-3-Methyl-Glutaryl-Coenzyme":[55],"A":[56],"Reductase":[57],"(HMGCR)":[58],"Sterol":[60],"Regulatory":[61],"Element-Binding":[62],"Protein":[63],"2":[64],"(SREBP2)":[65],"as":[66,72,74,81,136,190],"key":[67],"factors":[68],"in":[69],"cholesterol":[70,218],"biosynthesis":[71,219],"well":[73],"Proprotein":[75],"Convertase":[76],"Subtilisin/Kexin":[77],"type":[78],"9":[79],"(PCSK9)":[80],"a":[82,98,120],"common":[83],"target":[84],"for":[85],"hypercholesterolemia.":[86],"Protein-isoflavones":[87],"was":[89],"using":[91,153],"AutoDock.":[92],"According":[93],"binding":[95,143],"energy":[96,144],"calculations,":[97],"total":[99],"five":[101,186],"out":[102,183],"those":[104,163],"nine":[105],"isoflavones,":[106],"including":[107],"III,":[115],"favored":[117],"HMGCR":[121,168,197],"inhibitor":[122,138],"not":[124],"SREBP2":[126],"PCSK9.":[128],"Those":[129,199],"then":[132,148],"compared":[133],"Simvastatin":[135,147,173],"known":[137],"HMGCR.":[140],"Isoflavone":[141],"lower":[145],"than":[146,172],"directed":[149],"molecular":[151,176],"dynamics":[152,177],"YASARA":[154],"headed":[156],"into":[157],"toxicity":[158],"estimations.":[159],"Almost":[160],"all":[161],"could":[165],"bind":[166],"better":[170],"stability":[171],"according":[174],"Toxicity":[179],"prediction":[180],"filtered":[181],"two":[182],"mentioned":[188],"earlier":[189],"proper":[192],"candidate":[193],"an":[196],"inhibitor.":[198],"Genistin":[202],"Genistein.":[204],"In":[205],"summary,":[206],"may":[213],"occur":[214],"blocking":[216],"pathway.Communicated":[220],"Ramaswamy":[222],"H.":[223],"Sarma.":[224]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":4}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2022-11-30T00:00:00"}
