In Silico Studies on Compounds Derived from <i>Calceolaria</i>: Phenylethanoid Glycosides as Potential Multitarget Inhibitors for the Development of Pesticides

An increasing occurrence of resistance in insect pests and high mammal toxicity exhibited by common pesticides increase the need for new alternative molecules. Among these alternatives, bioinsecticides are considered to be environmentally friendly and safer than synthetic insecticides. Particularly,...

Full description

Bibliographic Details
Main Authors: Marco A. Loza-Mejía, Juan Rodrigo Salazar, Juan Francisco Sánchez-Tejeda
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:Biomolecules
Subjects:
Online Access:https://www.mdpi.com/2218-273X/8/4/121
Description
Summary:An increasing occurrence of resistance in insect pests and high mammal toxicity exhibited by common pesticides increase the need for new alternative molecules. Among these alternatives, bioinsecticides are considered to be environmentally friendly and safer than synthetic insecticides. Particularly, plant extracts have shown great potential in laboratory conditions. However, the lack of studies that confirm their mechanisms of action diminishes their potential applications on a large scale. Previously, we have reported the insect growth regulator and insecticidal activities of secondary metabolites isolated from plants of the <i>Calceolaria</i> genus. Herein, we report an in silico study of compounds isolated from <i>Calceolaria</i> against acetylcholinesterase, prophenoloxidase, and ecdysone receptor. The molecular docking results are consistent with the previously reported experimental results, which were obtained during the bioevaluation of <i>Calceolaria</i> extracts. Among the compounds, phenylethanoid glycosides, such as verbascoside, exhibited good theoretical affinity to all the analyzed targets. In light of these results, we developed an index to evaluate potential multitarget insecticides based on docking scores.
ISSN:2218-273X