Natural Products from Annonaceae as Potential Antichagasic Agents

被引:0
作者
Barros de Menezes, Renata Priscila [1 ]
Tavares, Josean Fechine [1 ]
Kato, Massuo Jorge [2 ]
da Rocha Coelho, Francisco Alex [3 ]
Sousa dos Santos, Airton Lucas [3 ]
da Franca Rodrigues, Klinger Antonio [3 ]
Sessions, Zoe L. [4 ]
Muratov, Eugene N. [4 ]
Scotti, Luciana [1 ]
Scotti, Marcus Tullius [1 ]
机构
[1] Univ Fed Paraiba, Programa Posgrad Prod Nat & Sintet Bioativos, BR-58051900 Joao Pessoa, Paraiba, Brazil
[2] Univ Sao Paulo, Inst Quim, BR-05508000 Sao Paulo, SP, Brazil
[3] Univ Fed Delta Parnaiba, Lab Doencas Infecciosas, BR-64202020 Parnaiba, PI, Brazil
[4] Univ N Carolina, Eshelman Sch Pharm, Mol Modeling Lab, Chapel Hill, NC 27599 USA
关键词
Natural Products; Annonaceae; Ligand-based Virtual Screening; Machine learning; Antichagasic activity; VITRO ANTIPROTOZOAL ACTIVITY; TRYPANOSOMA-CRUZI; ESSENTIAL OILS; CHEMICAL-COMPOSITION; IN-VITRO; SESQUITERPENE LACTONES; TRYPANOCIDAL ACTIVITY; CHAGAS-DISEASE; LEAVES; CONSTITUENTS;
D O I
10.1002/cmdc.202200196
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Chagas disease, a neglected tropical disease, is endemic in 21 Latin American countries and particularly prevalent in Brazil. Chagas disease has drawn more attention in recent years due to its expansion into non-endemic areas. The aim of this work was to computationally identify and experimentally validate the natural products from an Annonaceae family as antichagasic agents. Through the ligand-based virtual screening, we identified 57 molecules with potential activity against the epimastigote form of T. cruzi. Then, 16 molecules were analyzed in the in vitro study, of which, six molecules displayed previously unknown antiepimastigote activity. We also evaluated these six molecules for trypanocidal activity. We observed that all six molecules have potential activity against the amastigote form, but no molecules were active against the trypomastigote form. 13-Epicupressic acid seems to be the most promising, as it was predicted as an active compound in the in silico study against the amastigote form of T. cruzi, in addition to having in vitro activity against the epimastigote form.
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页数:8
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