{"id":"https://openalex.org/W1979019034","doi":"https://doi.org/10.1021/ci2002236","title":"Molecular Design of Anticancer Drug Leads Based on Three-Dimensional Quantitative Structure\u2013Activity Relationship","display_name":"Molecular Design of Anticancer Drug Leads Based on Three-Dimensional Quantitative Structure\u2013Activity Relationship","publication_year":2011,"publication_date":"2011-07-14","ids":{"openalex":"https://openalex.org/W1979019034","doi":"https://doi.org/10.1021/ci2002236","mag":"1979019034","pmid":"https://pubmed.ncbi.nlm.nih.gov/21755987"},"language":"en","primary_location":{"id":"doi:10.1021/ci2002236","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2002236","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://202.201.7.4:8080/handle/262010/75749","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101909869","display_name":"Xiao Huang","orcid":"https://orcid.org/0000-0002-5670-028X"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiao Yan Huang","raw_affiliation_strings":["College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","institution_ids":["https://openalex.org/I76214153"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113999981","display_name":"Zhi Shan","orcid":null},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhi Jie Shan","raw_affiliation_strings":["College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","institution_ids":["https://openalex.org/I76214153"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091586201","display_name":"Hong Lin Zhai","orcid":"https://orcid.org/0000-0001-7088-4962"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hong Lin Zhai","raw_affiliation_strings":["College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","institution_ids":["https://openalex.org/I76214153"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061897725","display_name":"Li Na Li","orcid":null},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li Na Li","raw_affiliation_strings":["College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","institution_ids":["https://openalex.org/I76214153"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081076398","display_name":"Xiaoyun Zhang","orcid":"https://orcid.org/0000-0002-8994-1012"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiao Yun Zhang","raw_affiliation_strings":["College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, People's Republic of China","institution_ids":["https://openalex.org/I76214153"]},{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000 People's Republic of China","institution_ids":["https://openalex.org/I76214153"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5091586201"],"corresponding_institution_ids":["https://openalex.org/I76214153"],"apc_list":null,"apc_paid":null,"fwci":1.0492,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.74732664,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"51","issue":"8","first_page":"1999","last_page":"2006"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10934","display_name":"Heat shock proteins research","score":0.9994000196456909,"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/T10934","display_name":"Heat shock proteins research","score":0.9994000196456909,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9957000017166138,"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/T12763","display_name":"ATP Synthase and ATPases Research","score":0.9732000231742859,"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/novobiocin","display_name":"Novobiocin","score":0.8858509659767151},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7492871880531311},{"id":"https://openalex.org/keywords/anticancer-drug","display_name":"Anticancer drug","score":0.6901521682739258},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.604440450668335},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5744064450263977},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.5339528322219849},{"id":"https://openalex.org/keywords/hsp90","display_name":"Hsp90","score":0.4686683118343353},{"id":"https://openalex.org/keywords/heat-shock-protein","display_name":"Heat shock protein","score":0.46179720759391785},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3750647306442261},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.28865113854408264},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.26766645908355713},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.2611573338508606},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.21981468796730042},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2099285125732422},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.08555886149406433}],"concepts":[{"id":"https://openalex.org/C2779904463","wikidata":"https://www.wikidata.org/wiki/Q1639291","display_name":"Novobiocin","level":3,"score":0.8858509659767151},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7492871880531311},{"id":"https://openalex.org/C3018146709","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Anticancer drug","level":3,"score":0.6901521682739258},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.604440450668335},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5744064450263977},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.5339528322219849},{"id":"https://openalex.org/C2775932338","wikidata":"https://www.wikidata.org/wiki/Q24772687","display_name":"Hsp90","level":4,"score":0.4686683118343353},{"id":"https://openalex.org/C205260736","wikidata":"https://www.wikidata.org/wiki/Q418939","display_name":"Heat shock protein","level":3,"score":0.46179720759391785},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3750647306442261},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.28865113854408264},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.26766645908355713},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2611573338508606},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.21981468796730042},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2099285125732422},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.08555886149406433},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009675","descriptor_name":"Novobiocin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009675","descriptor_name":"Novobiocin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009675","descriptor_name":"Novobiocin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009675","descriptor_name":"Novobiocin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009675","descriptor_name":"Novobiocin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009675","descriptor_name":"Novobiocin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018841","descriptor_name":"HSP90 Heat-Shock Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci2002236","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2002236","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:21755987","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21755987","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,"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 chemical information and modeling","raw_type":null},{"id":"pmh:oai:ir.lzu.edu.cn/:262010/75749","is_oa":true,"landing_page_url":"http://202.201.7.4:8080/handle/262010/75749","pdf_url":null,"source":{"id":"https://openalex.org/S4406923049","display_name":"Lanzhou University Institutional Repository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":{"id":"pmh:oai:ir.lzu.edu.cn/:262010/75749","is_oa":true,"landing_page_url":"http://202.201.7.4:8080/handle/262010/75749","pdf_url":null,"source":{"id":"https://openalex.org/S4406923049","display_name":"Lanzhou University Institutional Repository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.7799999713897705}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":30,"referenced_works":["https://openalex.org/W1586440254","https://openalex.org/W1972370905","https://openalex.org/W1976220825","https://openalex.org/W1980017694","https://openalex.org/W1984966660","https://openalex.org/W2005051528","https://openalex.org/W2008292539","https://openalex.org/W2009020548","https://openalex.org/W2009032242","https://openalex.org/W2009899654","https://openalex.org/W2016976719","https://openalex.org/W2020742237","https://openalex.org/W2022254839","https://openalex.org/W2022531767","https://openalex.org/W2026610312","https://openalex.org/W2035604845","https://openalex.org/W2042699875","https://openalex.org/W2048539342","https://openalex.org/W2049937711","https://openalex.org/W2052151051","https://openalex.org/W2054290614","https://openalex.org/W2063060349","https://openalex.org/W2073750962","https://openalex.org/W2081800499","https://openalex.org/W2094861086","https://openalex.org/W2111187586","https://openalex.org/W2117487251","https://openalex.org/W2134175129","https://openalex.org/W2148482155","https://openalex.org/W2150955765"],"related_works":["https://openalex.org/W2359046661","https://openalex.org/W2792817309","https://openalex.org/W1982758031","https://openalex.org/W2259919285","https://openalex.org/W2040594105","https://openalex.org/W1979019034","https://openalex.org/W1977473118","https://openalex.org/W2063709661","https://openalex.org/W3016551545","https://openalex.org/W4321374582"],"abstract_inverted_index":{"Heat":[0],"shock":[1],"protein":[2],"90":[3],"(Hsp90)":[4],"takes":[5],"part":[6],"in":[7,28],"the":[8,29,36,77,82,104,112],"developments":[9],"of":[10],"several":[11,83],"cancers.":[12],"Novobiocin,":[13],"a":[14,46],"typically":[15],"C-terminal":[16],"inhibitor":[17],"for":[18,117],"Hsp90,":[19],"will":[20],"probably":[21],"used":[22],"as":[23],"an":[24],"important":[25,84],"anticancer":[26,114],"drug":[27,115],"future.":[30],"In":[31],"this":[32],"work,":[33],"we":[34],"explored":[35],"valuable":[37],"information":[38],"and":[39,58,71,101],"designed":[40,100],"new":[41,92],"novobiocin":[42,93],"derivatives":[43,94],"based":[44],"on":[45,81],"three-dimensional":[47],"quantitative":[48],"structure-activity":[49],"relationship":[50],"(3D":[51],"QSAR).":[52],"The":[53],"comparative":[54,59],"molecular":[55,60,105],"field":[56],"analysis":[57,63],"similarity":[61],"indices":[62],"models":[64],"with":[65,95,107],"high":[66],"predictive":[67],"capability":[68],"were":[69,99],"established,":[70],"their":[72],"reliabilities":[73],"are":[74],"supported":[75],"by":[76,103],"statistical":[78],"parameters.":[79],"Based":[80],"influence":[85],"factors":[86],"obtained":[87],"from":[88],"these":[89],"models,":[90,109],"six":[91],"higher":[96],"inhibitory":[97],"activities":[98],"confirmed":[102],"simulation":[106],"our":[108],"which":[110],"provide":[111],"potential":[113],"leads":[116],"further":[118],"research.":[119]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":4},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":2}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2025-10-10T00:00:00"}