{"doi":"10.1016/j.bmc.2009.02.056","title":"Molecular modeling studies and in vitro bioactivity evaluation of a set of novel 5-nitro-heterocyclic derivatives as anti-T. cruzi agents","abstract":null,"journal":"Bioorganic & Medicinal Chemistry","year":2009,"id":639636,"datarank":1.4472561652709421,"base_score":3.1780538303479458,"endowment":3.1780538303479458,"self_citation_contribution":0.47670807455219194,"citation_network_contribution":0.9705480907187503,"self_endowment_contribution":0.47670807455219194,"citer_contribution":0.9705480907187503,"corpus_percentile":null,"corpus_rank":null,"citation_count":23,"citer_count":19,"citers_with_citation_signal":16,"citers_with_endowment":16,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1131903,"name":"Salomão Dória Jorge","orcid":"0000-0002-0716-2403","position":1,"is_corresponding":false},{"id":1661958,"name":"Leonardo Viana de Almeida","orcid":null,"position":2,"is_corresponding":false},{"id":1661959,"name":"Kerly Fernanda Mesquita Pasqualoto","orcid":null,"position":3,"is_corresponding":false},{"id":1661961,"name":"Leoberto Costa Tavares","orcid":null,"position":4,"is_corresponding":false},{"id":1661957,"name":"Fávero Reisdorfer Paula","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Molecular modeling studies and in vitro bioactivity evaluation of a set of novel 5-nitro-heterocyclic derivatives as anti-T. cruzi agents","abstract":"In this study, in vitro anti-T. cruzi activity assays of nifuroxazide (NX) analogues, such as 5-nitro-2-furfuryliden and 5-nitro-2-theniliden derivatives, were performed. A molecular modeling approach was also carried out to relate the lipophilicity potential (LP) property and biological activity data. The majority of the NX derivatives showed increased anti-T. cruzi activity in comparison to the reference drug, benznidazole (BZN). Additionally, the 5-nitro-2-furfuryliden derivatives presented better pharmacological profile than the 5-nitro-2-theniliden analogues. The LP maps and corresponding ClogP values indicate that there is an optimum lipophilicity value, which must be observed in the design of new potential anti-T. cruzi agents.","is_dataset_classified":null,"base_score":3.1780538303479458,"endowment":3.1780538303479458,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"19303308","pmcid":null,"openalex_id":"https://openalex.org/W2140833143","authors":[],"funders":[],"total_grants":0,"fwci":1.3135,"citation_percentile":0.82948871,"influential_citations":0,"citation_trend":[{"year":2012,"count":2},{"year":2013,"count":2},{"year":2014,"count":3},{"year":2016,"count":3},{"year":2017,"count":2},{"year":2018,"count":1},{"year":2019,"count":4},{"year":2021,"count":1},{"year":2022,"count":1},{"year":2024,"count":1},{"year":2025,"count":1}],"oa_status":"bronze","license":"http://www.elsevier.com/open-access/userlicense/1.0/","oa_locations":[{"url":"https://www.sciencedirect.com/science/article/pii/S0968089609002107/pdf","host_type":"journal"},{"url":"https://www.sciencedirect.com/science/article/pii/S0968089609002107/pdf","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:S0968089609002107?httpAccept=text/xml","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:S0968089609002107?httpAccept=text/plain","host_type":"publisher"},{"url":"https://doi.org/10.1016/j.bmc.2009.02.056","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/19303308","host_type":"repository"},{"url":"http://producao.usp.br/handle/BDPI/19872","host_type":"repository"}],"fields_of_study":["Research on Leishmaniasis Studies","Trypanosoma species research and implications","Synthesis and Biological Evaluation","Animals","Hydroxybenzoates","Models, Molecular","Nitrofurans","Nitroimidazoles","Structure-Activity Relationship","Trypanocidal Agents","Trypanosoma cruzi"],"mesh_terms":["Animals","Models, Molecular","Nitrofurans","Nitroimidazoles","Structure-Activity Relationship","Trypanocidal Agents","Trypanosoma cruzi","Hydroxybenzoates"],"keywords":["Lipophilicity","Chemistry","Nitro","Benznidazole","Stereochemistry","Molecular model","In vitro","Quantitative structure–activity relationship","Biological activity","Nitro compound","Combinatorial chemistry","Trypanosoma cruzi","Biochemistry","Organic chemistry"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-07T01:05:46.958286Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}