{"id":"https://openalex.org/W4387163087","doi":"https://doi.org/10.1021/acs.jcim.3c00939","title":"Identification of Novel \u03b2-Tubulin Inhibitors Using a Combined <i>In Silico</i>/<i>In Vitro</i> Approach","display_name":"Identification of Novel \u03b2-Tubulin Inhibitors Using a Combined <i>In Silico</i>/<i>In Vitro</i> Approach","publication_year":2023,"publication_date":"2023-09-29","ids":{"openalex":"https://openalex.org/W4387163087","doi":"https://doi.org/10.1021/acs.jcim.3c00939","pmid":"https://pubmed.ncbi.nlm.nih.gov/37774242"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00939","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00939","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00939","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00939","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5080158365","display_name":"Mark James Horgan","orcid":null},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Mark James Horgan","raw_affiliation_strings":["Institute of Pharmacy/Pharmacognosy, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmacy/Pharmacognosy, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009151178","display_name":"Lukas Zell","orcid":null},"institutions":[{"id":"https://openalex.org/I27945538","display_name":"Paracelsus Medical University","ror":"https://ror.org/03z3mg085","country_code":"AT","type":"education","lineage":["https://openalex.org/I27945538"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Lukas Zell","raw_affiliation_strings":["Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg, Austria","institution_ids":["https://openalex.org/I27945538"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028595304","display_name":"Bianka Siewert","orcid":"https://orcid.org/0000-0002-4910-1756"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Bianka Siewert","raw_affiliation_strings":["Institute of Pharmacy/Pharmacognosy, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria"],"raw_orcid":"https://orcid.org/0000-0002-4910-1756","affiliations":[{"raw_affiliation_string":"Institute of Pharmacy/Pharmacognosy, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030967054","display_name":"Hermann Stuppner","orcid":"https://orcid.org/0000-0001-8862-0201"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Hermann Stuppner","raw_affiliation_strings":["Institute of Pharmacy/Pharmacognosy, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria"],"raw_orcid":"https://orcid.org/0000-0001-8862-0201","affiliations":[{"raw_affiliation_string":"Institute of Pharmacy/Pharmacognosy, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005983172","display_name":"Daniela Schuster","orcid":"https://orcid.org/0000-0002-9933-8938"},"institutions":[{"id":"https://openalex.org/I27945538","display_name":"Paracelsus Medical University","ror":"https://ror.org/03z3mg085","country_code":"AT","type":"education","lineage":["https://openalex.org/I27945538"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Daniela Schuster","raw_affiliation_strings":["Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg, Austria"],"raw_orcid":"https://orcid.org/0000-0002-9933-8938","affiliations":[{"raw_affiliation_string":"Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg, Austria","institution_ids":["https://openalex.org/I27945538"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5070095076","display_name":"Veronika Temml","orcid":"https://orcid.org/0000-0001-7662-9882"},"institutions":[{"id":"https://openalex.org/I27945538","display_name":"Paracelsus Medical University","ror":"https://ror.org/03z3mg085","country_code":"AT","type":"education","lineage":["https://openalex.org/I27945538"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Veronika Temml","raw_affiliation_strings":["Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg, Austria"],"raw_orcid":"https://orcid.org/0000-0001-7662-9882","affiliations":[{"raw_affiliation_string":"Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020 Salzburg, Austria","institution_ids":["https://openalex.org/I27945538"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5070095076"],"corresponding_institution_ids":["https://openalex.org/I27945538"],"apc_list":null,"apc_paid":null,"fwci":1.668,"has_fulltext":true,"cited_by_count":12,"citation_normalized_percentile":{"value":0.82735052,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"63","issue":"20","first_page":"6396","last_page":"6411"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9998000264167786,"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"}},"topics":[{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9998000264167786,"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"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.9993000030517578,"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"}},{"id":"https://openalex.org/T11845","display_name":"Cancer therapeutics and mechanisms","score":0.9993000030517578,"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/pharmacophore","display_name":"Pharmacophore","score":0.9420734643936157},{"id":"https://openalex.org/keywords/tubulin","display_name":"Tubulin","score":0.7894766330718994},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.756159245967865},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.6658728122711182},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5688560605049133},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.549872636795044},{"id":"https://openalex.org/keywords/paclitaxel","display_name":"Paclitaxel","score":0.5389322638511658},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.494048148393631},{"id":"https://openalex.org/keywords/microtubule","display_name":"Microtubule","score":0.47611838579177856},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.4037436246871948},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3271636366844177},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.2649836540222168},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.257363498210907},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2547035217285156},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.16655102372169495}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9420734643936157},{"id":"https://openalex.org/C84425145","wikidata":"https://www.wikidata.org/wiki/Q422492","display_name":"Tubulin","level":3,"score":0.7894766330718994},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.756159245967865},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.6658728122711182},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5688560605049133},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.549872636795044},{"id":"https://openalex.org/C2777292972","wikidata":"https://www.wikidata.org/wiki/Q423762","display_name":"Paclitaxel","level":3,"score":0.5389322638511658},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.494048148393631},{"id":"https://openalex.org/C20418707","wikidata":"https://www.wikidata.org/wiki/Q189933","display_name":"Microtubule","level":2,"score":0.47611838579177856},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4037436246871948},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3271636366844177},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2649836540222168},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.257363498210907},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2547035217285156},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.16655102372169495},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003078","descriptor_name":"Colchicine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011446","descriptor_name":"Prospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011446","descriptor_name":"Prospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011446","descriptor_name":"Prospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011446","descriptor_name":"Prospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011446","descriptor_name":"Prospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"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":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c00939","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00939","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00939","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:37774242","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37774242","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:pubmedcentral.nih.gov:10598795","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10598795","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10598795/pdf/ci3c00939.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.3c00939","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00939","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00939","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.6899999976158142,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G4872575114","display_name":null,"funder_award_id":"T942-B90","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"}],"funders":[{"id":"https://openalex.org/F4320321181","display_name":"Austrian Science Fund","ror":"https://ror.org/013tf3c58"},{"id":"https://openalex.org/F4320327491","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4387163087.pdf","grobid_xml":"https://content.openalex.org/works/W4387163087.grobid-xml"},"referenced_works_count":72,"referenced_works":["https://openalex.org/W1582305847","https://openalex.org/W1833467461","https://openalex.org/W1918363244","https://openalex.org/W1963878289","https://openalex.org/W1973026729","https://openalex.org/W1997362383","https://openalex.org/W1999575814","https://openalex.org/W2002475826","https://openalex.org/W2006868818","https://openalex.org/W2007985461","https://openalex.org/W2019467028","https://openalex.org/W2021632866","https://openalex.org/W2021860357","https://openalex.org/W2026322409","https://openalex.org/W2032549673","https://openalex.org/W2033342353","https://openalex.org/W2042959188","https://openalex.org/W2051907464","https://openalex.org/W2052064785","https://openalex.org/W2056059358","https://openalex.org/W2057637635","https://openalex.org/W2058997498","https://openalex.org/W2064571598","https://openalex.org/W2075180392","https://openalex.org/W2076702165","https://openalex.org/W2077028619","https://openalex.org/W2078710130","https://openalex.org/W2088060757","https://openalex.org/W2093277410","https://openalex.org/W2113364934","https://openalex.org/W2117692326","https://openalex.org/W2119657212","https://openalex.org/W2130479394","https://openalex.org/W2143103972","https://openalex.org/W2146730043","https://openalex.org/W2149362472","https://openalex.org/W2172081252","https://openalex.org/W2206414723","https://openalex.org/W2208203352","https://openalex.org/W2286315529","https://openalex.org/W2301198416","https://openalex.org/W2321088547","https://openalex.org/W2523277769","https://openalex.org/W2534012030","https://openalex.org/W2549185756","https://openalex.org/W2590284090","https://openalex.org/W2593436234","https://openalex.org/W2607387046","https://openalex.org/W2733457558","https://openalex.org/W2774836366","https://openalex.org/W2779730509","https://openalex.org/W2795469599","https://openalex.org/W2810408942","https://openalex.org/W2954990356","https://openalex.org/W2971198039","https://openalex.org/W2971613040","https://openalex.org/W2996972660","https://openalex.org/W3023126697","https://openalex.org/W3037048878","https://openalex.org/W3046826176","https://openalex.org/W3092712933","https://openalex.org/W3121446144","https://openalex.org/W3153943709","https://openalex.org/W3180099903","https://openalex.org/W3187343920","https://openalex.org/W4214540407","https://openalex.org/W4250372109","https://openalex.org/W4283213853","https://openalex.org/W4285043875","https://openalex.org/W4293555468","https://openalex.org/W4320918369","https://openalex.org/W4321166790"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2969563261","https://openalex.org/W2061401330","https://openalex.org/W3041915240","https://openalex.org/W2055137136","https://openalex.org/W2077097504","https://openalex.org/W2080809815","https://openalex.org/W2586171341"],"abstract_inverted_index":{"High":[0],"Resolution":[1],"Image":[2],"Download":[3],"MS":[4],"PowerPoint":[5],"Slide":[6],"Due":[7],"to":[8,107,150],"their":[9,90],"potential":[10,179],"as":[11,18,169,178],"leads":[12,180],"for":[13,30,57,89,172,181],"various":[14],"therapeutic":[15,186],"applications,":[16],"including":[17],"antimitotic":[19],"and":[20,54,71,177],"antiparasitic":[21],"agents,":[22],"the":[23,44,69,75,95,124,151,158,164,173,182],"development":[24,183],"of":[25,48,94,114,126,131,153,175,184],"tubulin":[26,59,85,103,159],"inhibitors":[27,60,118,155],"offers":[28],"promise":[29,168],"drug":[31],"discovery.":[32],"In":[33],"this":[34],"study,":[35],"an":[36,82,140],"in":[37,81,83,123],"silico":[38],"pharmacophore-based":[39],"virtual":[40],"screening":[41,147],"approach":[42],"targeting":[43],"colchicine":[45,160],"binding":[46,161],"site":[47],"\u03b2-tubulin":[49],"was":[50,133],"employed.":[51],"Several":[52],"structure-":[53],"ligand-based":[55],"models":[56,166],"known":[58],"were":[61,65,79,101],"generated.":[62],"Compound":[63],"databases":[64],"virtually":[66],"screened":[67],"against":[68],"models,":[70],"prioritized":[72],"hits":[73],"from":[74],"SPECS":[76,97],"compound":[77],"library":[78],"tested":[80],"vitro":[84],"polymerization":[86,104],"inhibition":[87],"assay":[88],"experimental":[91],"validation.":[92],"Out":[93],"41":[96],"compounds":[98,176],"tested,":[99],"11":[100],"active":[102,156],"inhibitors,":[105],"leading":[106],"a":[108,134],"prospective":[109],"true":[110],"positive":[111],"hit":[112],"rate":[113],"26.8%.":[115],"Two":[116],"novel":[117,135],"displayed":[119],"IC":[120,141],"50":[121,142],"values":[122],"range":[125],"colchicine.":[127],"The":[128,146],"most":[129],"potent":[130],"which":[132],"acetamide-bridged":[136],"benzodiazepine/benzimidazole":[137],"derivative":[138],"with":[139],"=":[143],"2.9":[144],"\u03bcM.":[145],"workflow":[148],"led":[149],"identification":[152],"diverse":[154],"at":[157],"site.":[162],"Thus,":[163],"pharmacophore":[165],"show":[167],"valuable":[170],"tools":[171],"discovery":[174],"cancer":[185],"agents.":[187]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":1}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2023-09-30T00:00:00"}