{"id":"https://openalex.org/W4206068397","doi":"https://doi.org/10.1155/2022/4004068","title":"In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening","display_name":"In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening","publication_year":2022,"publication_date":"2022-01-15","ids":{"openalex":"https://openalex.org/W4206068397","doi":"https://doi.org/10.1155/2022/4004068","pmid":"https://pubmed.ncbi.nlm.nih.gov/35075369"},"language":"en","primary_location":{"id":"doi:10.1155/2022/4004068","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2022/4004068","pdf_url":"https://downloads.hindawi.com/journals/cmmm/2022/4004068.pdf","source":{"id":"https://openalex.org/S36980176","display_name":"Computational and Mathematical Methods in Medicine","issn_l":"1748-670X","issn":["1748-670X","1748-6718"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869"],"host_organization_lineage_names":["Hindawi Publishing Corporation"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Methods in Medicine","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://downloads.hindawi.com/journals/cmmm/2022/4004068.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5068435169","display_name":"Farzin Hadizadeh","orcid":"https://orcid.org/0000-0002-7680-8191"},"institutions":[{"id":"https://openalex.org/I165560825","display_name":"Mashhad University of Medical Sciences","ror":"https://ror.org/04sfka033","country_code":"IR","type":"education","lineage":["https://openalex.org/I165560825"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Farzin Hadizadeh","raw_affiliation_strings":["Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran","Department of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825","https://openalex.org/I4210088961"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021252008","display_name":"Razieh Ghodsi","orcid":"https://orcid.org/0000-0001-5365-8779"},"institutions":[{"id":"https://openalex.org/I165560825","display_name":"Mashhad University of Medical Sciences","ror":"https://ror.org/04sfka033","country_code":"IR","type":"education","lineage":["https://openalex.org/I165560825"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Razieh Ghodsi","raw_affiliation_strings":["Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran","Department of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825","https://openalex.org/I4210088961"]},{"raw_affiliation_string":"Department of Medicinal Chemistry, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062514732","display_name":"Salimeh Mirzaei","orcid":"https://orcid.org/0000-0002-2674-0141"},"institutions":[{"id":"https://openalex.org/I4210128695","display_name":"Hormozgan University of Medical Sciences","ror":"https://ror.org/037wqsr57","country_code":"IR","type":"education","lineage":["https://openalex.org/I4210128695"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Salimeh Mirzaei","raw_affiliation_strings":["Department of Medicinal Chemistry, Faculty of Pharmacy, Hormozgan University of Medical Sciences, Bandar Abbas, Iran"],"raw_orcid":"https://orcid.org/0000-0002-2674-0141","affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, Faculty of Pharmacy, Hormozgan University of Medical Sciences, Bandar Abbas, Iran","institution_ids":["https://openalex.org/I4210128695"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036163332","display_name":"Amirhossein Sahebkar","orcid":"https://orcid.org/0000-0002-8656-1444"},"institutions":[{"id":"https://openalex.org/I165560825","display_name":"Mashhad University of Medical Sciences","ror":"https://ror.org/04sfka033","country_code":"IR","type":"education","lineage":["https://openalex.org/I165560825"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Amirhossein Sahebkar","raw_affiliation_strings":["Applied Biomedical Research Center, Mashhad University of Medical Sciences, Mashhad, Iran","Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran","Department of Biotechnology, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran"],"raw_orcid":"https://orcid.org/0000-0002-8656-1444","affiliations":[{"raw_affiliation_string":"Applied Biomedical Research Center, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825"]},{"raw_affiliation_string":"Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825","https://openalex.org/I4210088961"]},{"raw_affiliation_string":"Department of Biotechnology, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran","institution_ids":["https://openalex.org/I165560825"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5062514732"],"corresponding_institution_ids":["https://openalex.org/I4210128695"],"apc_list":{"value":2100,"currency":"USD","value_usd":2100},"apc_paid":{"value":2100,"currency":"USD","value_usd":2100},"fwci":1.2068,"has_fulltext":true,"cited_by_count":11,"citation_normalized_percentile":{"value":0.75283255,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":98},"biblio":{"volume":"2022","issue":null,"first_page":"1","last_page":"11"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9991999864578247,"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":0.9991999864578247,"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":0.9975000023841858,"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":0.9952999949455261,"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":0.9701752662658691},{"id":"https://openalex.org/keywords/tubulin","display_name":"Tubulin","score":0.7349667549133301},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.7230778932571411},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.6426116228103638},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6383182406425476},{"id":"https://openalex.org/keywords/paclitaxel","display_name":"Paclitaxel","score":0.5834965705871582},{"id":"https://openalex.org/keywords/microtubule","display_name":"Microtubule","score":0.5294777154922485},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5222190618515015},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4960039556026459},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4376913607120514},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.2870773673057556},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.27711695432662964},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.2173307240009308},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.20848500728607178},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.11634233593940735},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.10907396674156189},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.07719618082046509}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9701752662658691},{"id":"https://openalex.org/C84425145","wikidata":"https://www.wikidata.org/wiki/Q422492","display_name":"Tubulin","level":3,"score":0.7349667549133301},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7230778932571411},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.6426116228103638},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6383182406425476},{"id":"https://openalex.org/C2777292972","wikidata":"https://www.wikidata.org/wiki/Q423762","display_name":"Paclitaxel","level":3,"score":0.5834965705871582},{"id":"https://openalex.org/C20418707","wikidata":"https://www.wikidata.org/wiki/Q189933","display_name":"Microtubule","level":2,"score":0.5294777154922485},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5222190618515015},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4960039556026459},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4376913607120514},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2870773673057556},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.27711695432662964},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.2173307240009308},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.20848500728607178},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.11634233593940735},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.10907396674156189},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.07719618082046509},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","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":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","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":"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":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"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":"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":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"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":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008870","descriptor_name":"Microtubules","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","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":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","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":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D056004","descriptor_name":"Molecular Dynamics 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},{"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":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1155/2022/4004068","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2022/4004068","pdf_url":"https://downloads.hindawi.com/journals/cmmm/2022/4004068.pdf","source":{"id":"https://openalex.org/S36980176","display_name":"Computational and Mathematical Methods in Medicine","issn_l":"1748-670X","issn":["1748-670X","1748-6718"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869"],"host_organization_lineage_names":["Hindawi Publishing Corporation"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Methods in Medicine","raw_type":"journal-article"},{"id":"pmid:35075369","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35075369","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 and mathematical methods in medicine","raw_type":null},{"id":"pmh:oai:doaj.org/article:e6ebfc662f9c425ea63767be5a2e59b4","is_oa":true,"landing_page_url":"https://doaj.org/article/e6ebfc662f9c425ea63767be5a2e59b4","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":"Computational and Mathematical Methods in Medicine, Vol 2022 (2022)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:8783753","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8783753","pdf_url":null,"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":"Comput Math Methods Med","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1155/2022/4004068","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2022/4004068","pdf_url":"https://downloads.hindawi.com/journals/cmmm/2022/4004068.pdf","source":{"id":"https://openalex.org/S36980176","display_name":"Computational and Mathematical Methods in Medicine","issn_l":"1748-670X","issn":["1748-670X","1748-6718"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869"],"host_organization_lineage_names":["Hindawi Publishing Corporation"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Methods in Medicine","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.800000011920929,"display_name":"Good health and well-being"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320322855","display_name":"Mashhad University of Medical Sciences","ror":"https://ror.org/04sfka033"},{"id":"https://openalex.org/F4320327362","display_name":"Hormozgan University of Medical Sciences","ror":"https://ror.org/037wqsr57"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4206068397.pdf","grobid_xml":"https://content.openalex.org/works/W4206068397.grobid-xml"},"referenced_works_count":32,"referenced_works":["https://openalex.org/W1566848446","https://openalex.org/W1965448004","https://openalex.org/W2009989991","https://openalex.org/W2012082047","https://openalex.org/W2034174912","https://openalex.org/W2048984631","https://openalex.org/W2052947591","https://openalex.org/W2073081213","https://openalex.org/W2146380722","https://openalex.org/W2259687103","https://openalex.org/W2521382198","https://openalex.org/W2568024305","https://openalex.org/W2595278577","https://openalex.org/W2610343386","https://openalex.org/W2626166877","https://openalex.org/W2737982662","https://openalex.org/W2760243299","https://openalex.org/W2766859200","https://openalex.org/W2771858640","https://openalex.org/W2795469599","https://openalex.org/W2799688505","https://openalex.org/W2802305983","https://openalex.org/W2941723046","https://openalex.org/W2942692394","https://openalex.org/W2985471550","https://openalex.org/W2990484356","https://openalex.org/W2999958881","https://openalex.org/W3007796716","https://openalex.org/W3040606777","https://openalex.org/W3100592462","https://openalex.org/W3103060641","https://openalex.org/W3134285223"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2061401330","https://openalex.org/W2055137136","https://openalex.org/W3041915240","https://openalex.org/W2077097504","https://openalex.org/W2586171341","https://openalex.org/W2167386965","https://openalex.org/W1580389218"],"abstract_inverted_index":{"has":[0],"better":[1],"drug":[2],"characteristics":[3],"compared":[4],"to":[5],"the":[6],"other":[7],"two":[8],"ligands.":[9]},"counts_by_year":[{"year":2025,"cited_by_count":5},{"year":2023,"cited_by_count":6}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2022-01-25T00:00:00"}