{"id":"https://openalex.org/W2830914644","doi":"https://doi.org/10.1016/j.compbiolchem.2018.07.003","title":"Molecular docking and 4D-QSAR studies of metastatic cancer inhibitor thiazoles","display_name":"Molecular docking and 4D-QSAR studies of metastatic cancer inhibitor thiazoles","publication_year":2018,"publication_date":"2018-07-07","ids":{"openalex":"https://openalex.org/W2830914644","doi":"https://doi.org/10.1016/j.compbiolchem.2018.07.003","mag":"2830914644","pmid":"https://pubmed.ncbi.nlm.nih.gov/30145406"},"language":"en","primary_location":{"id":"doi:10.1016/j.compbiolchem.2018.07.003","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiolchem.2018.07.003","pdf_url":null,"source":{"id":"https://openalex.org/S104924063","display_name":"Computational Biology and Chemistry","issn_l":"1476-9271","issn":["1476-9271","1476-928X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational Biology and Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5057105983","display_name":"Bur\u00e7in T\u00fcrkmeno\u011flu","orcid":"https://orcid.org/0000-0002-5770-0847"},"institutions":[{"id":"https://openalex.org/I87673952","display_name":"Erciyes University","ror":"https://ror.org/047g8vk19","country_code":"TR","type":"education","lineage":["https://openalex.org/I87673952"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Bur\u00e7in T\u00fcrkmeno\u011flu","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, Erciyes University, 38039, Kayseri, Turkey. Electronic address: bkilic@erciyes.edu.tr","Department of Chemistry, Faculty of Science, Erciyes University, 38039, Kayseri, Turkey"],"raw_orcid":"https://orcid.org/0000-0002-5770-0847","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Erciyes University, 38039, Kayseri, Turkey. Electronic address: bkilic@erciyes.edu.tr","institution_ids":["https://openalex.org/I87673952"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Erciyes University, 38039, Kayseri, Turkey","institution_ids":["https://openalex.org/I87673952"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5059483038","display_name":"Yahya G\u00fczel","orcid":"https://orcid.org/0000-0002-4698-1866"},"institutions":[{"id":"https://openalex.org/I87673952","display_name":"Erciyes University","ror":"https://ror.org/047g8vk19","country_code":"TR","type":"education","lineage":["https://openalex.org/I87673952"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Yahya G\u00fczel","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, Erciyes University, 38039, Kayseri, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Erciyes University, 38039, Kayseri, Turkey","institution_ids":["https://openalex.org/I87673952"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5057105983"],"corresponding_institution_ids":["https://openalex.org/I87673952"],"apc_list":{"value":2960,"currency":"USD","value_usd":2960},"apc_paid":null,"fwci":1.9345,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.87792793,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"76","issue":null,"first_page":"327","last_page":"337"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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/T10274","display_name":"Synthesis and biological activity","score":0.9973000288009644,"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":0.995199978351593,"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":0.8138430118560791},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5697621703147888},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4182620048522949},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3743559420108795},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3549883961677551},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.29984766244888306},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.20497635006904602},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.20198765397071838}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8138430118560791},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5697621703147888},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4182620048522949},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3743559420108795},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3549883961677551},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.29984766244888306},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.20497635006904602},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.20198765397071838},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","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":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"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":"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":"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":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017346","descriptor_name":"Protein Serine-Threonine Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017346","descriptor_name":"Protein Serine-Threonine Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017346","descriptor_name":"Protein Serine-Threonine Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018125","descriptor_name":"Receptors, Transforming Growth Factor beta","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018125","descriptor_name":"Receptors, Transforming Growth Factor beta","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018125","descriptor_name":"Receptors, Transforming Growth Factor beta","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.compbiolchem.2018.07.003","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiolchem.2018.07.003","pdf_url":null,"source":{"id":"https://openalex.org/S104924063","display_name":"Computational Biology and Chemistry","issn_l":"1476-9271","issn":["1476-9271","1476-928X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational Biology and Chemistry","raw_type":"journal-article"},{"id":"pmid:30145406","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30145406","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":"Computational biology and chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.49000000953674316,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320321688","display_name":"Erciyes \u00dcniversitesi","ror":"https://ror.org/047g8vk19"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":67,"referenced_works":["https://openalex.org/W1520425169","https://openalex.org/W1534731256","https://openalex.org/W1544807337","https://openalex.org/W1609703700","https://openalex.org/W1966757504","https://openalex.org/W1974924093","https://openalex.org/W1975048942","https://openalex.org/W1977657840","https://openalex.org/W1984172347","https://openalex.org/W1984811139","https://openalex.org/W1987553034","https://openalex.org/W1994037959","https://openalex.org/W1999982981","https://openalex.org/W2007897263","https://openalex.org/W2011580004","https://openalex.org/W2013413569","https://openalex.org/W2016851920","https://openalex.org/W2017422910","https://openalex.org/W2018536043","https://openalex.org/W2020629018","https://openalex.org/W2021860357","https://openalex.org/W2025600527","https://openalex.org/W2030384053","https://openalex.org/W2037394566","https://openalex.org/W2042611135","https://openalex.org/W2043076340","https://openalex.org/W2043855224","https://openalex.org/W2045098675","https://openalex.org/W2053023428","https://openalex.org/W2053500182","https://openalex.org/W2061789405","https://openalex.org/W2062925851","https://openalex.org/W2063467701","https://openalex.org/W2068337719","https://openalex.org/W2077467665","https://openalex.org/W2091589454","https://openalex.org/W2093161896","https://openalex.org/W2096608164","https://openalex.org/W2096729078","https://openalex.org/W2104078482","https://openalex.org/W2109509860","https://openalex.org/W2113048813","https://openalex.org/W2114779636","https://openalex.org/W2116108132","https://openalex.org/W2117692326","https://openalex.org/W2125253492","https://openalex.org/W2128362489","https://openalex.org/W2472005760","https://openalex.org/W2483953267","https://openalex.org/W2578119541","https://openalex.org/W2742621173","https://openalex.org/W2752564268","https://openalex.org/W2781955600","https://openalex.org/W2804236763","https://openalex.org/W2949170707","https://openalex.org/W3013008134","https://openalex.org/W4234593440","https://openalex.org/W6657170689","https://openalex.org/W6666119077","https://openalex.org/W6673795086","https://openalex.org/W6674242727","https://openalex.org/W6676002767","https://openalex.org/W6677436389","https://openalex.org/W6742561830","https://openalex.org/W6743887671","https://openalex.org/W6775291934","https://openalex.org/W7075731939"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834","https://openalex.org/W657579294"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":2}],"updated_date":"2026-05-16T08:24:45.110214","created_date":"2025-10-10T00:00:00"}