Enhanced Larvicidal Activity of New 1,2,4-Oxadiazoles against Aedes aegypti Mosquitos: QSAR and Docking Studies

被引：3

作者：

da Silva, Aluizio G. ^{[1
]}

Navarro, Daniela Maria A. F. ^{[2
]}

Santos, Geanne K. N. ^{[2
]}

de Aguiar, Julio Cesar R. O. F. ^{[2
,3
]}

de Franca, Karla A. ^{[2
,3
]}

Tebeka, Iris Raquel M. ^{[1
]}

dos Anjos, Janaina, V ^{[3
]}

da Silva, Joao Bosco P. ^{[1
]}

Kanis, Luiz A. ^{[4
]}

Srivastava, Rajendra M. ^{[3
]}

Neves Filho, Ricardo Antonio W. ^{[3
]}

Ramos, Mozart N. ^{[1
]}

机构：

[1] Univ Fed Pernambuco, Dept Quim Fundamental, Lab Quim Teor & Computac, BR-50740560 Recife, PE, Brazil

[2] Univ Fed Pernambuco, Dept Quim Fundamental, Lab Ecol Quim, BR-50670901 Recife, PE, Brazil

[3] Univ Fed Pernambuco, Dept Quim Fundamental, Lab Sintese Organ, BR-50670901 Recife, PE, Brazil

[4] Univ Sul Santa Catarina, Programa Pos Grad Ciencias Saude, Grp Pesquisa Tecnol Farmaceut, BR-88704900 Tubarao, SC, Brazil

来源：

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY | 2022年

关键词：

Aedes aegypti; larvicidal; 1; 2; 4-oxadiazole; QSAR; molecular docking; STEROL CARRIER PROTEIN-2; OVIPOSITION; RESISTANCE; TOXICITY; DENGUE; ACIDS; SAR;

D O I：

10.21577/0103-5053.20220112

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The worldwide emergence of viral diseases such as Zika, Dengue, Chikungunya, West Nile and Yellow Fever urge the search for solutions to eliminate their common vector, the Aedes aegypti mosquito. This paper describes the quantitative structure-activity relationship (QSAR) and docking studies of a series of nine 3-(3-aryl-1,2,4-oxadiazol-5-yl)propionic acids (AOPA), 1-9, previously published by our group. Additionally, three new 1,2,4-oxadiazoles, 10-12, have also been synthesized, characterized and studied. The QSAR and docking studies of all compounds, 1-12, clearly indicate that larger hydrophobic substituents such as biphenyl groups attached on position 3 in 1,2,4-oxadiazoles improve the larvicidal activity. It is worthwhile to mention that nanocapsulation of compounds 10-12 were necessary to help their dissolution in water and these three new 1,2,4-oxadiazoles also exhibited approximately equal or higher larvicidal activities compared to the former prototypes at stage L4.

引用

页码：333 / 345

页数：13

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