{"id":"https://openalex.org/W1515603422","doi":"https://doi.org/10.1371/journal.pcbi.1002189","title":"Identification of Potent EGFR Inhibitors from TCM Database@Taiwan","display_name":"Identification of Potent EGFR Inhibitors from TCM Database@Taiwan","publication_year":2011,"publication_date":"2011-10-13","ids":{"openalex":"https://openalex.org/W1515603422","doi":"https://doi.org/10.1371/journal.pcbi.1002189","mag":"1515603422","pmid":"https://pubmed.ncbi.nlm.nih.gov/22022246"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1002189","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002189","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002189&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"type":"book-chapter","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002189&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5077475496","display_name":"Shun\u2010Chieh Yang","orcid":null},"institutions":[{"id":"https://openalex.org/I184693016","display_name":"China Medical University","ror":"https://ror.org/00v408z34","country_code":"TW","type":"education","lineage":["https://openalex.org/I184693016"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Shun-Chieh Yang","raw_affiliation_strings":["Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan. ycc929@MIT.EDU","Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan. ycc929@MIT.EDU","institution_ids":["https://openalex.org/I184693016"]},{"raw_affiliation_string":"Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan","institution_ids":["https://openalex.org/I184693016"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047715993","display_name":"Su\u2010Sen Chang","orcid":null},"institutions":[{"id":"https://openalex.org/I184693016","display_name":"China Medical University","ror":"https://ror.org/00v408z34","country_code":"TW","type":"education","lineage":["https://openalex.org/I184693016"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Su-Sen Chang","raw_affiliation_strings":["Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan","institution_ids":["https://openalex.org/I184693016"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101819600","display_name":"Hsin\u2010Yi Chen","orcid":"https://orcid.org/0009-0003-7567-9935"},"institutions":[{"id":"https://openalex.org/I143578492","display_name":"Asia University","ror":"https://ror.org/038a1tp19","country_code":"TW","type":"education","lineage":["https://openalex.org/I143578492"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Hsin-Yi Chen","raw_affiliation_strings":["Department of Bioinformatics, Asia University, Taichung, Taiwan","Department of Bioinformatics, Asia University, Taichung, Taiwan#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioinformatics, Asia University, Taichung, Taiwan","institution_ids":["https://openalex.org/I143578492"]},{"raw_affiliation_string":"Department of Bioinformatics, Asia University, Taichung, Taiwan#TAB#","institution_ids":["https://openalex.org/I143578492"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078562310","display_name":"Calvin Yu\u2010Chian Chen","orcid":"https://orcid.org/0000-0001-9213-9832"},"institutions":[{"id":"https://openalex.org/I184693016","display_name":"China Medical University","ror":"https://ror.org/00v408z34","country_code":"TW","type":"education","lineage":["https://openalex.org/I184693016"]},{"id":"https://openalex.org/I4210113902","display_name":"China Medical University Beigang Hospital","ror":"https://ror.org/01wd8pa65","country_code":"TW","type":"healthcare","lineage":["https://openalex.org/I4210113902"]},{"id":"https://openalex.org/I143578492","display_name":"Asia University","ror":"https://ror.org/038a1tp19","country_code":"TW","type":"education","lineage":["https://openalex.org/I143578492"]}],"countries":["TW"],"is_corresponding":true,"raw_author_name":"Calvin Yu-Chian Chen","raw_affiliation_strings":["China Medical University Beigang Hospital, Yunlin, Taiwan","Department of Bioinformatics, Asia University, Taichung, Taiwan","Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"China Medical University Beigang Hospital, Yunlin, Taiwan","institution_ids":["https://openalex.org/I4210113902","https://openalex.org/I184693016"]},{"raw_affiliation_string":"Department of Bioinformatics, Asia University, Taichung, Taiwan","institution_ids":["https://openalex.org/I143578492"]},{"raw_affiliation_string":"Laboratory of Computational and Systems Biology, School of Chinese Medicine, China Medical University, Taichung, Taiwan","institution_ids":["https://openalex.org/I184693016"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5078562310"],"corresponding_institution_ids":["https://openalex.org/I143578492","https://openalex.org/I184693016","https://openalex.org/I4210113902"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":0.3261,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.57178952,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"7","issue":"10","first_page":"e1002189","last_page":"e1002189"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9977999925613403,"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":0.9977999925613403,"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/T10755","display_name":"HER2/EGFR in Cancer Research","score":0.9904000163078308,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9847999811172485,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.776024580001831},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.640522301197052},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.5256763100624084},{"id":"https://openalex.org/keywords/epidermal-growth-factor-receptor","display_name":"Epidermal growth factor receptor","score":0.5220068097114563},{"id":"https://openalex.org/keywords/binding-affinities","display_name":"Binding affinities","score":0.48683542013168335},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.4835057556629181},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.46526435017585754},{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.4484626054763794},{"id":"https://openalex.org/keywords/affinities","display_name":"Affinities","score":0.4414340853691101},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.21906280517578125},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17274048924446106},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.14972499012947083},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.08638924360275269}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.776024580001831},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.640522301197052},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5256763100624084},{"id":"https://openalex.org/C2779438470","wikidata":"https://www.wikidata.org/wiki/Q424401","display_name":"Epidermal growth factor receptor","level":3,"score":0.5220068097114563},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.48683542013168335},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4835057556629181},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.46526435017585754},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.4484626054763794},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.4414340853691101},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.21906280517578125},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17274048924446106},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.14972499012947083},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.08638924360275269},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013624","descriptor_name":"Taiwan","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013624","descriptor_name":"Taiwan","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013624","descriptor_name":"Taiwan","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":7,"locations":[{"id":"doi:10.1371/journal.pcbi.1002189","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002189","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002189&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},{"id":"pmid:22022246","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22022246","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:doaj.org/article:07c44bc0af3b42e298e5de4b4b9e1426","is_oa":true,"landing_page_url":"https://doaj.org/article/07c44bc0af3b42e298e5de4b4b9e1426","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 7, Iss 10, p e1002189 (2011)","raw_type":"article"},{"id":"pmh:oai:dspace.mit.edu:1721.1/70415","is_oa":true,"landing_page_url":"http://hdl.handle.net/1721.1/70415","pdf_url":null,"source":{"id":"https://openalex.org/S4306400425","display_name":"DSpace@MIT (Massachusetts Institute of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I63966007","host_organization_name":"Massachusetts Institute of Technology","host_organization_lineage":["https://openalex.org/I63966007"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS","raw_type":"http://purl.org/eprint/type/JournalArticle"},{"id":"pmh:oai:europepmc.org:2199892","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3192800","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:figshare.com:article/132385","is_oa":true,"landing_page_url":"https://figshare.com/articles/Identification_of_Potent_EGFR_Inhibitors_from_TCM_Database_Taiwan/132385","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dataset"},{"id":"mag:1515603422","is_oa":false,"landing_page_url":"https://dspace.mit.edu/openaccess-disseminate/1721.1/70415","pdf_url":null,"source":{"id":"https://openalex.org/S4306489179","display_name":"PLoS eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"ebook platform"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":"PLoS eBooks","raw_type":null}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1002189","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002189","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002189&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.7200000286102295,"id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1816262982","display_name":null,"funder_award_id":"DOH100-TD-C-111-005","funder_id":"https://openalex.org/F4320321040","funder_display_name":"National Science Council"},{"id":"https://openalex.org/G2884299492","display_name":null,"funder_award_id":"DOH100-TD-B-111-004","funder_id":"https://openalex.org/F4320324301","funder_display_name":"China Medical University"},{"id":"https://openalex.org/G5334579634","display_name":null,"funder_award_id":"DOH100-TD-C-111-005","funder_id":"https://openalex.org/F4320324301","funder_display_name":"China Medical University"},{"id":"https://openalex.org/G613896522","display_name":null,"funder_award_id":"DOH100-TD-B-111-004","funder_id":"https://openalex.org/F4320321040","funder_display_name":"National Science Council"},{"id":"https://openalex.org/G8737284672","display_name":null,"funder_award_id":"NSC 99","funder_id":"https://openalex.org/F4320321040","funder_display_name":"National Science Council"}],"funders":[{"id":"https://openalex.org/F4320321040","display_name":"National Science Council","ror":"https://ror.org/02kv4zf79"},{"id":"https://openalex.org/F4320323032","display_name":"Asia University","ror":"https://ror.org/038a1tp19"},{"id":"https://openalex.org/F4320324301","display_name":"China Medical University","ror":"https://ror.org/032d4f246"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1515603422.pdf","grobid_xml":"https://content.openalex.org/works/W1515603422.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W1514134885","https://openalex.org/W1804903119","https://openalex.org/W1832171914","https://openalex.org/W1977927254","https://openalex.org/W1981532526","https://openalex.org/W1982103273","https://openalex.org/W1982289655","https://openalex.org/W1987713050","https://openalex.org/W1994753024","https://openalex.org/W1995732705","https://openalex.org/W2000231857","https://openalex.org/W2004594733","https://openalex.org/W2016710415","https://openalex.org/W2020073316","https://openalex.org/W2020742545","https://openalex.org/W2023259296","https://openalex.org/W2027061278","https://openalex.org/W2027331882","https://openalex.org/W2027731040","https://openalex.org/W2031672007","https://openalex.org/W2034070267","https://openalex.org/W2035541846","https://openalex.org/W2036926586","https://openalex.org/W2037521712","https://openalex.org/W2042215590","https://openalex.org/W2043978551","https://openalex.org/W2046634369","https://openalex.org/W2048716650","https://openalex.org/W2051930573","https://openalex.org/W2066073918","https://openalex.org/W2067114310","https://openalex.org/W2074822218","https://openalex.org/W2077183006","https://openalex.org/W2077538414","https://openalex.org/W2077562320","https://openalex.org/W2078465128","https://openalex.org/W2085254573","https://openalex.org/W2086480844","https://openalex.org/W2092382295","https://openalex.org/W2096249701","https://openalex.org/W2103002807","https://openalex.org/W2103245406","https://openalex.org/W2106141559","https://openalex.org/W2107562129","https://openalex.org/W2111109297","https://openalex.org/W2111581388","https://openalex.org/W2115694019","https://openalex.org/W2132262459","https://openalex.org/W2140999408","https://openalex.org/W2145957695","https://openalex.org/W2148925318","https://openalex.org/W2150817352","https://openalex.org/W2156825507","https://openalex.org/W2161682775","https://openalex.org/W2235706971","https://openalex.org/W2612240612","https://openalex.org/W4249303597"],"related_works":["https://openalex.org/W2034097692","https://openalex.org/W1976662380","https://openalex.org/W3047564610","https://openalex.org/W2144671784","https://openalex.org/W1966901940","https://openalex.org/W1988345806","https://openalex.org/W3034521702","https://openalex.org/W2217949972","https://openalex.org/W2053701769","https://openalex.org/W2000482829","https://openalex.org/W2111064172","https://openalex.org/W3000157125","https://openalex.org/W2054730692","https://openalex.org/W2064818963","https://openalex.org/W2164039504","https://openalex.org/W1985117771","https://openalex.org/W2016010074","https://openalex.org/W2782204539","https://openalex.org/W2055222604","https://openalex.org/W3163822971"],"abstract_inverted_index":{"Overexpression":[0],"of":[1,14,24,69,72,118,182,234],"epidermal":[2],"growth":[3],"factor":[4],"receptor":[5],"(EGFR)":[6],"has":[7,18],"been":[8,19],"associated":[9],"with":[10,109],"cancer.":[11],"Targeted":[12],"inhibition":[13],"the":[15,101,119,139,144,150,158,183,203,210,232],"EGFR":[16,40,70,204,251],"pathway":[17],"shown":[20],"to":[21,37,149,248],"limit":[22],"proliferation":[23],"cancerous":[25],"cells.":[26],"Hence,":[27],"we":[28],"employed":[29],"Traditional":[30],"Chinese":[31],"Medicine":[32],"Database":[33],"(TCM":[34],"Database@Taiwan)":[35],"(http://tcm.cmu.edu.tw)":[36],"identify":[38],"potential":[39,250],"inhibitor.":[41],"Multiple":[42],"Linear":[43],"Regression":[44],"(MLR),":[45],"Support":[46],"Vector":[47],"Machine":[48],"(SVM),":[49],"Comparative":[50,56],"Molecular":[51,57,193],"Field":[52],"Analysis":[53,60],"(CoMFA),":[54],"and":[55,90,94,112,129,166,180,242],"Similarities":[58],"Indices":[59],"(CoMSIA)":[61],"models":[62,134],"were":[63,84,186,214],"generated":[64],"using":[65],"a":[66],"training":[67],"set":[68],"ligands":[71],"known":[73],"inhibitory":[74],"activities.":[75],"The":[76,104,175,221],"top":[77],"four":[78],"TCM":[79,105,140,145,191,198],"candidates":[80,106,146,199],"based":[81],"on":[82,209,231],"DockScore":[83],"2-O-caffeoyl":[85,237],"tartaric":[86,92,238,244],"acid,":[87,93,239],"Emitine,":[88,240],"Rosmaricine,":[89,241],"2-O-feruloyl":[91,243],"all":[95,114,197],"had":[96,107],"higher":[97],"binding":[98,122],"affinities":[99],"than":[100],"control":[102],"Iressa\u00ae.":[103],"interactions":[108],"Asp855,":[110],"Lys716,":[111],"Lys728,":[113],"which":[115],"are":[116,246],"residues":[117],"protein":[120,205],"kinase":[121,206],"site.":[123],"Validated":[124],"MLR":[125],"(r\u00b2":[126,131],"=":[127,132,161,164,169,172],"0.7858)":[128],"SVM":[130],"0.8754)":[133],"predicted":[135],"good":[136],"bioactivity":[137],"for":[138],"candidates.":[141],"In":[142],"addition,":[143],"contoured":[147],"well":[148,187],"3D-Quantitative":[151],"Structure-Activity":[152],"Relationship":[153],"(3D-QSAR)":[154],"map":[155,185],"derived":[156],"from":[157],"CoMFA":[159],"(q\u00b2":[160,168],"0.721,":[162],"r\u00b2":[163,171],"0.986)":[165],"CoMSIA":[167],"0.662,":[170],"0.988)":[173],"models.":[174],"steric":[176],"field,":[177,179],"hydrophobic":[178],"H-bond":[181],"3D-QSAR":[184],"matched":[188],"by":[189],"each":[190],"candidate.":[192],"docking":[194],"indicated":[195],"that":[196],"formed":[200,215],"H-bonds":[201,213],"within":[202],"domain.":[207],"Based":[208,230],"different":[211],"structures,":[212],"at":[216],"either":[217],"Asp855":[218],"or":[219],"Lys716/Lys728.":[220],"compounds":[222],"remained":[223],"stable":[224],"throughout":[225],"molecular":[226],"dynamics":[227],"(MD)":[228],"simulation.":[229],"results":[233],"this":[235],"study,":[236],"acid":[245],"suggested":[247],"be":[249],"inhibitors.":[252]},"counts_by_year":[{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}
