Quantitative structure–activity relationship (QSAR) analysis of plant‐derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors

Abstract

The QSAR model surpasses previously published models based on geometrical descriptors, thereby representing a suitable tool for predicting larvicidal activity against the vector A. aegypti using a conformation-independent approach. © 2018 Society of Chemical Industry.

Synergistic terpene combinations as larvicides against the dengue vector Aedes aegypti Linn.

“…Elucidation of mode of action of EOs is important for insect control because it may give useful information on the most appropriate formulation, delivery means and resistance management (Sim et al, ). Future studies emphasizing on determining the mechanism of action, rational design, structure–activity studies, formulation and field trials of the terpenes and EOs as presently going on (Alencar Filho et al, ; Saavedra et al, ; Saavedra et al, ; De santos et al, ) could be resulting in a commercial, toxicologically safe green pesticide for public health vector control to replace the currently used insecticides. Our study has identified a potential binary terpene combination against larvae of Ae.…”

Ecotoxicological risk assessment of pesticides against different aquatic and terrestrial species: using mechanistic QSTR and iQSTTR modelling approaches to fill the toxicity data gap

“…Saavedra et al also found that VP-2 was an important variable responsible for increasing the larvicidal activity of plantderived compounds. 64 Xlog P is a measure of hydrophobicity/ lipophilicity, thereby positively correlated with the toxicity. As depicted in Fig.…”

QSAR modeling for predicting the larvicidal activity of essential oils targeting Culex pipiens pallens (Diptera: Culicidae)

“…M. Javidfar and S. Ahmad have improved QSAR models for 62 larvicidal phytocompounds against Aedes Aegypti [22]. Laura M. Saavedra et al, have analysed by QSAR the larvicidal activity against Aedes aegypti (Diptera: Culicidae) from 60 plant-derived compounds using the RM variable subset selection technique based on MLR exploring 18 326 molecular descriptors [19]. This method attempts to correlate chemical or biological activities with a great number of molecular descriptors, which are real numbers calculated from molecular structures using various approaches and appropriate software [23,25].…”

“…Furthermore, larvicides have been commonly used to eradicate the populations of Culex pipiens for many years [16], so the ideal method for controlling mosquito populations infestation is by preventing mosquitoes at the breeding sites in the aquatic larval stage compared to the adult one [17,18]. However, the development of plant-based larvicides is limited by the considerable time and huge budget to perform biological and clinical trials [19]. For this reason, several approaches have been employed to nd new, quick, and costless methods of research of new bioactive compounds against mosquitoes, which consist in predicting the properties and activities of molecules [20].…”