{"id":"https://openalex.org/W4404909596","doi":"https://doi.org/10.1016/j.molstruc.2024.140987","title":"Design, synthesis, computational studies and evaluation of novel 2, 4, 5-trisubstituted pyrimidine derivatives for anticancer activity against MCF-7 and A549 cell lines","display_name":"Design, synthesis, computational studies and evaluation of novel 2, 4, 5-trisubstituted pyrimidine derivatives for anticancer activity against MCF-7 and A549 cell lines","publication_year":2024,"publication_date":"2024-12-02","ids":{"openalex":"https://openalex.org/W4404909596","doi":"https://doi.org/10.1016/j.molstruc.2024.140987"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2024.140987","doi":"https://doi.org/10.1016/j.molstruc.2024.140987","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2024.140987","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":"Journal of Molecular Structure","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5114569069","display_name":"Chintan Sheth","orcid":"https://orcid.org/0000-0003-2785-2484","observed_orcids":["https://orcid.org/0000-0003-2785-2484"]},"institutions":[{"id":"https://openalex.org/I9694494","display_name":"Parul University","ror":"https://ror.org/024v3fg07","country_code":"IN","type":"education","lineage":["https://openalex.org/I9694494"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Chintan Sheth","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, Parul Institute of Pharmacy & Research, Parul University, Vadodara 391 760, Gujarat, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Parul Institute of Pharmacy & Research, Parul University, Vadodara 391 760, Gujarat, India","institution_ids":["https://openalex.org/I9694494"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044134816","display_name":"Pinkal H. Patel","orcid":"https://orcid.org/0000-0002-7876-8197","observed_orcids":["https://orcid.org/0000-0002-7876-8197"]},"institutions":[{"id":"https://openalex.org/I9694494","display_name":"Parul University","ror":"https://ror.org/024v3fg07","country_code":"IN","type":"education","lineage":["https://openalex.org/I9694494"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Pinkal Patel","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, Parul Institute of Pharmacy & Research, Parul University, Vadodara 391 760, Gujarat, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Parul Institute of Pharmacy & Research, Parul University, Vadodara 391 760, Gujarat, India","institution_ids":["https://openalex.org/I9694494"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083949476","display_name":"Umang Shah","orcid":"https://orcid.org/0000-0001-6748-2137","observed_orcids":["https://orcid.org/0000-0001-6748-2137"]},"institutions":[{"id":"https://openalex.org/I33459947","display_name":"Charotar University of Science and Technology","ror":"https://ror.org/0442pkv24","country_code":"IN","type":"education","lineage":["https://openalex.org/I33459947"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Umang Shah","raw_affiliation_strings":["Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology (CHARUSAT), CHARUSAT Campus, Changa 388421, India"],"raw_orcid":"https://orcid.org/0000-0001-6748-2137","affiliations":[{"raw_affiliation_string":"Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology (CHARUSAT), CHARUSAT Campus, Changa 388421, India","institution_ids":["https://openalex.org/I33459947"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5044134816","https://openalex.org/A5083949476"],"corresponding_institution_ids":["https://openalex.org/I33459947","https://openalex.org/I9694494"],"apc_list":{"value":3570,"currency":"USD","value_usd":3570},"apc_paid":null,"fwci":2.3362,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.88699627,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"1325","issue":null,"first_page":"140987","last_page":"140987"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.6410999894142151,"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":"Heterocyclic Compound Synthesis and Bioactivity","score":0.6410999894142151,"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.32760000228881836,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.022199999541044235,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/anticancer-activity","display_name":"anticancer activity","score":0.8149999976158142},{"id":"https://openalex.org/keywords/mcf-7-cells","display_name":"MCF-7 cells","score":0.8299999833106995},{"id":"https://openalex.org/keywords/a549-cells","display_name":"A549 cells","score":0.9980000257492065},{"id":"https://openalex.org/keywords/gefitinib","display_name":"gefitinib","score":0.9480000138282776},{"id":"https://openalex.org/keywords/lapatinib","display_name":"lapatinib","score":0.9779999852180481},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.9160000085830688},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.9900000095367432},{"id":"https://openalex.org/keywords/protein-ligand-complex-stability","display_name":"protein-ligand complex stability","score":0.8339999914169312},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.878000020980835}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9722983837127686},{"id":"https://openalex.org/C2779321679","wikidata":"https://www.wikidata.org/wiki/Q207722","display_name":"Pyrimidine","level":2,"score":0.8600238561630249},{"id":"https://openalex.org/C109541995","wikidata":"https://www.wikidata.org/wiki/Q1881253","display_name":"MCF-7","level":5,"score":0.7806081175804138},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5279240608215332},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.37338101863861084},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3616218566894531},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.09504804015159607},{"id":"https://openalex.org/C96232424","wikidata":"https://www.wikidata.org/wiki/Q4118072","display_name":"Cancer cell","level":3,"score":0.0792689323425293},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.0},{"id":"https://openalex.org/C2994423619","wikidata":"https://www.wikidata.org/wiki/Q9103","display_name":"Human breast","level":4,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2024.140987","doi":"https://doi.org/10.1016/j.molstruc.2024.140987","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2024.140987","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":"Journal of Molecular Structure","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.8048999905586243,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320326160","display_name":"Charotar University of Science and Technology","ror":"https://ror.org/0442pkv24"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":64,"referenced_works":["https://openalex.org/W1837617056","https://openalex.org/W1887624773","https://openalex.org/W1969933391","https://openalex.org/W1988055795","https://openalex.org/W2003867647","https://openalex.org/W2008320487","https://openalex.org/W2026395206","https://openalex.org/W2035266068","https://openalex.org/W2037690883","https://openalex.org/W2077451485","https://openalex.org/W2092303745","https://openalex.org/W2106186049","https://openalex.org/W2107631682","https://openalex.org/W2355646343","https://openalex.org/W2529942904","https://openalex.org/W2884801654","https://openalex.org/W2902373664","https://openalex.org/W2903084459","https://openalex.org/W2903519922","https://openalex.org/W2908059055","https://openalex.org/W2916915826","https://openalex.org/W2942626681","https://openalex.org/W2944346763","https://openalex.org/W2988550756","https://openalex.org/W2992659008","https://openalex.org/W2996370077","https://openalex.org/W3098322247","https://openalex.org/W3137718859","https://openalex.org/W3178008293","https://openalex.org/W3197869088","https://openalex.org/W3209724471","https://openalex.org/W4200242163","https://openalex.org/W4282587405","https://openalex.org/W4294189863","https://openalex.org/W4308024640","https://openalex.org/W4317809508","https://openalex.org/W4319655592","https://openalex.org/W4322617872","https://openalex.org/W4323318991","https://openalex.org/W4379229001","https://openalex.org/W4385318501","https://openalex.org/W4385564507","https://openalex.org/W4387808893","https://openalex.org/W4388422036","https://openalex.org/W4388974074","https://openalex.org/W4389273579","https://openalex.org/W4389298108","https://openalex.org/W4389963495","https://openalex.org/W4390708268","https://openalex.org/W4391283520","https://openalex.org/W4391476825","https://openalex.org/W4391730678","https://openalex.org/W4391934151","https://openalex.org/W4392554413","https://openalex.org/W4392705734","https://openalex.org/W4393863114","https://openalex.org/W4394599648","https://openalex.org/W4394853416","https://openalex.org/W4395082286","https://openalex.org/W4396615547","https://openalex.org/W4396676657","https://openalex.org/W4400786160","https://openalex.org/W4403118805","https://openalex.org/W4403459462"],"related_works":["https://openalex.org/W4312191177","https://openalex.org/W4414794660","https://openalex.org/W3175127799","https://openalex.org/W7160442229","https://openalex.org/W3026106138","https://openalex.org/W4404183991","https://openalex.org/W3184852947","https://openalex.org/W4403607283","https://openalex.org/W4200321052","https://openalex.org/W3149542257"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":12}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2024-12-03T00:00:00"}
