{"id":"https://openalex.org/W4392000342","doi":"https://doi.org/10.1080/07391102.2023.2294165","title":"Integrating network pharmacology, molecular docking and simulation approaches with machine learning reveals the multi-target pharmacological mechanism of Berberis integerrima against diabetic nephropathy","display_name":"Integrating network pharmacology, molecular docking and simulation approaches with machine learning reveals the multi-target pharmacological mechanism of Berberis integerrima against diabetic nephropathy","publication_year":2024,"publication_date":"2024-02-20","ids":{"openalex":"https://openalex.org/W4392000342","doi":"https://doi.org/10.1080/07391102.2023.2294165","pmid":"https://pubmed.ncbi.nlm.nih.gov/38379386"},"language":"en","primary_location":{"id":"doi:10.1080/07391102.2023.2294165","doi":"https://doi.org/10.1080/07391102.2023.2294165","is_oa":false,"landing_page_url":"https://doi.org/10.1080/07391102.2023.2294165","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","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/A5100775317","display_name":"Xueqin Zhang","orcid":"https://orcid.org/0000-0002-1803-7341","observed_orcids":["https://orcid.org/0000-0002-1803-7341"]},"institutions":[{"id":"https://openalex.org/I154093214","display_name":"Xinjiang Medical University","ror":"https://ror.org/01p455v08","country_code":"CN","type":"education","lineage":["https://openalex.org/I154093214"]},{"id":"https://openalex.org/I2802734952","display_name":"First Affiliated Hospital of Xinjiang Medical University","ror":"https://ror.org/02qx1ae98","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I2802734952"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xueqin Zhang","raw_affiliation_strings":["Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University","Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University","institution_ids":["https://openalex.org/I154093214","https://openalex.org/I2802734952"]},{"raw_affiliation_string":"Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University, Urumqi, China","institution_ids":["https://openalex.org/I2802734952"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5107245781","display_name":"Peng Chao","orcid":"https://orcid.org/0000-0002-2553-4434","observed_orcids":["https://orcid.org/0000-0002-2553-4434"]},"institutions":[{"id":"https://openalex.org/I4210122141","display_name":"People's Hospital of Xinjiang Uygur Autonomous Region","ror":"https://ror.org/02r247g67","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210122141"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Peng Chao","raw_affiliation_strings":["Department of Cardiology, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","Department of Cardiology, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Cardiology, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","institution_ids":["https://openalex.org/I4210122141"]},{"raw_affiliation_string":"Department of Cardiology, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China","institution_ids":["https://openalex.org/I4210122141"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100433917","display_name":"Lei Zhang","orcid":"https://orcid.org/0000-0002-4880-824X","observed_orcids":["https://orcid.org/0000-0002-4880-824X","https://orcid.org/0000-0002-5866-7591"]},"institutions":[{"id":"https://openalex.org/I4210122141","display_name":"People's Hospital of Xinjiang Uygur Autonomous Region","ror":"https://ror.org/02r247g67","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210122141"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lei Zhang","raw_affiliation_strings":["Department of Endocrine, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","Department of Endocrine, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Endocrine, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","institution_ids":["https://openalex.org/I4210122141"]},{"raw_affiliation_string":"Department of Endocrine, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China","institution_ids":["https://openalex.org/I4210122141"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101298867","display_name":"Jinyu Lu","orcid":"https://orcid.org/0009-0006-3595-4658","observed_orcids":["https://orcid.org/0009-0006-3595-4658"]},"institutions":[{"id":"https://openalex.org/I154093214","display_name":"Xinjiang Medical University","ror":"https://ror.org/01p455v08","country_code":"CN","type":"education","lineage":["https://openalex.org/I154093214"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jinyu Lu","raw_affiliation_strings":["Xinjiang Medical University","Xinjiang Medical University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Xinjiang Medical University","institution_ids":["https://openalex.org/I154093214"]},{"raw_affiliation_string":"Xinjiang Medical University, Urumqi, China","institution_ids":["https://openalex.org/I154093214"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100741622","display_name":"Aiping Yang","orcid":"https://orcid.org/0000-0002-5222-5055","observed_orcids":["https://orcid.org/0000-0002-5222-5055"]},"institutions":[{"id":"https://openalex.org/I4210122141","display_name":"People's Hospital of Xinjiang Uygur Autonomous Region","ror":"https://ror.org/02r247g67","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210122141"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Aiping Yang","raw_affiliation_strings":["Department of Traditional Chinese Medicine, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","Department of Traditional Chinese Medicine, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Traditional Chinese Medicine, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","institution_ids":["https://openalex.org/I4210122141"]},{"raw_affiliation_string":"Department of Traditional Chinese Medicine, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China","institution_ids":["https://openalex.org/I4210122141"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101782192","display_name":"Hong Xiang Jiang","orcid":"https://orcid.org/0000-0003-2075-3272","observed_orcids":["https://orcid.org/0000-0003-2075-3272"]},"institutions":[{"id":"https://openalex.org/I4210122141","display_name":"People's Hospital of Xinjiang Uygur Autonomous Region","ror":"https://ror.org/02r247g67","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210122141"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hong Jiang","raw_affiliation_strings":["Department of Nephrology, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","Department of Nephrology, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Nephrology, People\u2019s Hospital of Xinjiang Uygur Autonomous Region","institution_ids":["https://openalex.org/I4210122141"]},{"raw_affiliation_string":"Department of Nephrology, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, China","institution_ids":["https://openalex.org/I4210122141"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101756791","display_name":"Chen Hua Lu","orcid":"https://orcid.org/0000-0001-7619-8891","observed_orcids":["https://orcid.org/0000-0001-7619-8891"]},"institutions":[{"id":"https://openalex.org/I154093214","display_name":"Xinjiang Medical University","ror":"https://ror.org/01p455v08","country_code":"CN","type":"education","lineage":["https://openalex.org/I154093214"]},{"id":"https://openalex.org/I2802734952","display_name":"First Affiliated Hospital of Xinjiang Medical University","ror":"https://ror.org/02qx1ae98","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I2802734952"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Chen Lu","raw_affiliation_strings":["Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University","Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University, Urumqi, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University","institution_ids":["https://openalex.org/I154093214","https://openalex.org/I2802734952"]},{"raw_affiliation_string":"Department of Nephrology, The First Affiliated Hospital of Xinjiang Medical University, Urumqi, China","institution_ids":["https://openalex.org/I2802734952"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5101756791"],"corresponding_institution_ids":["https://openalex.org/I154093214","https://openalex.org/I2802734952"],"apc_list":null,"apc_paid":null,"fwci":1.7472,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.85110061,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"43","issue":"4","first_page":"2092","last_page":"2108"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.801800012588501,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.801800012588501,"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/T12059","display_name":"Berberine and alkaloids research","score":0.1793999969959259,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T11709","display_name":"Traditional Chinese Medicine Analysis","score":0.004399999976158142,"subfield":{"id":"https://openalex.org/subfields/2707","display_name":"Complementary and alternative medicine"},"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/berberis-integerrima","display_name":"Berberis integerrima","score":0.9959999918937683},{"id":"https://openalex.org/keywords/diabetic-nephropathy","display_name":"diabetic nephropathy","score":1.0},{"id":"https://openalex.org/keywords/network-pharmacology","display_name":"network pharmacology","score":0.6460000276565552},{"id":"https://openalex.org/keywords/protein-protein-interaction-network","display_name":"protein-protein interaction network","score":0.902999997138977},{"id":"https://openalex.org/keywords/hub-genes","display_name":"hub genes","score":0.9900000095367432},{"id":"https://openalex.org/keywords/kegg-pathway-enrichment","display_name":"KEGG pathway enrichment","score":0.8199999928474426},{"id":"https://openalex.org/keywords/syk","display_name":"Syk","score":0.7889999747276306},{"id":"https://openalex.org/keywords/prkcb","display_name":"protein kinase C beta","score":1.0},{"id":"https://openalex.org/keywords/diagnostic-biomarkers","display_name":"diagnostic biomarkers","score":0.8799999952316284},{"id":"https://openalex.org/keywords/berberine","display_name":"berberine","score":0.753000020980835},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.6039999723434448},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.8460000157356262}],"concepts":[{"id":"https://openalex.org/C152724338","wikidata":"https://www.wikidata.org/wiki/Q909442","display_name":"KEGG","level":5,"score":0.5621044635772705},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5329003930091858},{"id":"https://openalex.org/C2779922275","wikidata":"https://www.wikidata.org/wiki/Q1129105","display_name":"Diabetic nephropathy","level":3,"score":0.5181295275688171},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5142192840576172},{"id":"https://openalex.org/C2780116568","wikidata":"https://www.wikidata.org/wiki/Q176525","display_name":"Berberine","level":2,"score":0.462281733751297},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3967013955116272},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3902491331100464},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.309340238571167},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2372218370437622},{"id":"https://openalex.org/C150194340","wikidata":"https://www.wikidata.org/wiki/Q26972","display_name":"Gene expression","level":3,"score":0.16130885481834412},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14977774024009705},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.1337246298789978},{"id":"https://openalex.org/C162317418","wikidata":"https://www.wikidata.org/wiki/Q252857","display_name":"Transcriptome","level":4,"score":0.10494107007980347},{"id":"https://openalex.org/C2780091579","wikidata":"https://www.wikidata.org/wiki/Q9377","display_name":"Kidney","level":2,"score":0.0856052041053772},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000091484","descriptor_name":"Network Pharmacology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000091484","descriptor_name":"Network Pharmacology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D000091484","descriptor_name":"Network Pharmacology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D000091484","descriptor_name":"Network Pharmacology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D000091484","descriptor_name":"Network Pharmacology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D003928","descriptor_name":"Diabetic Nephropathies","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D028142","descriptor_name":"Berberis","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D028142","descriptor_name":"Berberis","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D028142","descriptor_name":"Berberis","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D028142","descriptor_name":"Berberis","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D028142","descriptor_name":"Berberis","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D060066","descriptor_name":"Protein Interaction Maps","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D060066","descriptor_name":"Protein Interaction Maps","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D060066","descriptor_name":"Protein Interaction Maps","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D060066","descriptor_name":"Protein Interaction Maps","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D060066","descriptor_name":"Protein Interaction Maps","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1080/07391102.2023.2294165","doi":"https://doi.org/10.1080/07391102.2023.2294165","is_oa":false,"landing_page_url":"https://doi.org/10.1080/07391102.2023.2294165","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:38379386","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38379386","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":[{"display_name":"Good health and well-being","score":0.9763000011444092,"id":"https://metadata.un.org/sdg/3"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":75,"referenced_works":["https://openalex.org/W1528987778","https://openalex.org/W1887624773","https://openalex.org/W1930624869","https://openalex.org/W1955421840","https://openalex.org/W1967172766","https://openalex.org/W1969798710","https://openalex.org/W1971464685","https://openalex.org/W1973280251","https://openalex.org/W1984417882","https://openalex.org/W1988244470","https://openalex.org/W1994561661","https://openalex.org/W2003291247","https://openalex.org/W2005753081","https://openalex.org/W2013050167","https://openalex.org/W2016361851","https://openalex.org/W2038660913","https://openalex.org/W2059301162","https://openalex.org/W2059983531","https://openalex.org/W2087347434","https://openalex.org/W2097065948","https://openalex.org/W2098214115","https://openalex.org/W2100305481","https://openalex.org/W2100561975","https://openalex.org/W2101051256","https://openalex.org/W2103325328","https://openalex.org/W2106391842","https://openalex.org/W2131347449","https://openalex.org/W2131364422","https://openalex.org/W2134526812","https://openalex.org/W2138199172","https://openalex.org/W2149333911","https://openalex.org/W2159675211","https://openalex.org/W2163519092","https://openalex.org/W2167980479","https://openalex.org/W2168938595","https://openalex.org/W2179438025","https://openalex.org/W2182714946","https://openalex.org/W2252958664","https://openalex.org/W2288200855","https://openalex.org/W2418824045","https://openalex.org/W2421878187","https://openalex.org/W2481995427","https://openalex.org/W2510751088","https://openalex.org/W2555962093","https://openalex.org/W2568617656","https://openalex.org/W2584950181","https://openalex.org/W2593436234","https://openalex.org/W2734356283","https://openalex.org/W2766955800","https://openalex.org/W2785709513","https://openalex.org/W2887562507","https://openalex.org/W2913590717","https://openalex.org/W2923195351","https://openalex.org/W2942986805","https://openalex.org/W2949305189","https://openalex.org/W2981871322","https://openalex.org/W2983335475","https://openalex.org/W2987783202","https://openalex.org/W2999140222","https://openalex.org/W3023374743","https://openalex.org/W3046989688","https://openalex.org/W3088162480","https://openalex.org/W3106899554","https://openalex.org/W3107394471","https://openalex.org/W3202108952","https://openalex.org/W4211048098","https://openalex.org/W4229448069","https://openalex.org/W4249273120","https://openalex.org/W4255677297","https://openalex.org/W4256300792","https://openalex.org/W4280501005","https://openalex.org/W4281928796","https://openalex.org/W4292501506","https://openalex.org/W4308155118","https://openalex.org/W4309079637"],"related_works":["https://openalex.org/W4377242443","https://openalex.org/W4385728725","https://openalex.org/W1990933410","https://openalex.org/W2528788296","https://openalex.org/W2985843621","https://openalex.org/W1589733092","https://openalex.org/W2351576280","https://openalex.org/W3029789611","https://openalex.org/W2080005102","https://openalex.org/W3017396243"],"abstract_inverted_index":{"Diabetic":[0],"nephropathy":[1,52,169],"(DN)":[2],"is":[3,34],"one":[4],"of":[5,10,15,43,49,87,93,113,121,134,167,212,245],"the":[6,85,109,165,207,213],"most":[7],"feared":[8],"complications":[9],"diabetes":[11],"and":[12,46,53,65,79,100,145,153,181,188,203,210],"key":[13],"cause":[14],"end-stage":[16],"renal":[17],"disease":[18],"(ESRD).":[19],"Berberis":[20],"integerrima":[21,45,64,115,224,247],"has":[22,225],"been":[23],"widely":[24],"used":[25,69,149],"to":[26,36,70,81,107,241],"treat":[27],"diabetic":[28,51,168],"complications,":[29],"but":[30],"exact":[31],"molecular":[32,151],"mechanism":[33],"yet":[35],"be":[37],"discovered.":[38],"Data":[39],"on":[40,91,116,228,232],"active":[41,214],"ingredients":[42],"B.":[44,63,114,223,246],"target":[47,217],"genes":[48,89,123,136,192],"both":[50],"B.integerrima":[54],"were":[55,68],"obtained":[56],"from":[57],"public":[58],"databases.":[59],"Common":[60],"results":[61],"between":[62,98],"DN":[66,229],"targets":[67,102],"create":[71],"protein-protein":[72],"interaction":[73],"(PPI)":[74],"network":[75,97,110],"using":[76,105],"STRING":[77],"database":[78],"exported":[80],"Cytoscape":[82,106],"software":[83,147],"for":[84,150],"selection":[86],"hub":[88],"based":[90],"degree":[92],"connectivity.":[94],"Future,":[95],"PPI":[96],"constituents":[99],"overlapping":[101],"was":[103,137,148],"created":[104],"investigate":[108],"pharmacological":[111],"effects":[112],"DN.":[117,200,249],"KEGG":[118],"pathway":[119],"analysis":[120,205],"core":[122,135],"exposed":[124],"their":[125],"involvement":[126],"in":[127,248],"excess":[128],"glucose-activated":[129,233],"signaling":[130,234],"pathway.":[131],"Then,":[132],"expression":[133],"validated":[138],"through":[139],"machine":[140],"learning":[141,185],"classifiers.":[142],"Finally,":[143],"PyRx":[144],"AMBER18":[146],"docking":[152,202],"simulation.":[154],"We":[155],"found":[156],"that":[157,193,222],"Armepavine,":[158],"Berberine,":[159],"Glaucine,":[160],"Magnoflorine,":[161],"Reticuline,":[162],"Quercetin":[163],"inhibits":[164],"growth":[166],"by":[170,230],"affecting":[171],"ICAM1,":[172],"PRKCB,":[173],"IKBKB,":[174],"KDR,":[175],"ALOX5,":[176],"VCAM1,":[177],"SYK,":[178],"TBXA2R,":[179],"LCK,":[180],"F3":[182],"genes.":[183,218],"Machine":[184],"revealed":[186,221],"SYK":[187],"PRKCB":[189],"as":[190,196],"potential":[191],"could":[194],"use":[195],"diagnostic":[197],"biomarkers":[198],"against":[199],"Furthermore,":[201],"simulation":[204],"showed":[206],"binding":[208],"affinity":[209],"stability":[211],"compound":[215],"with":[216],"Our":[219],"study":[220],"preventive":[226],"effect":[227],"acting":[231],"pathways.":[235],"However,":[236],"experimental":[237],"studies":[238],"are":[239],"needed":[240],"reveal":[242],"biosafety":[243],"profiles":[244]},"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":4}],"updated_date":"2026-10-21T09:56:26.102985","created_date":"2025-10-10T00:00:00"}