TY - JOUR
T1 - Bioactive molecules of Triadica sebifera as eco-friendly antifeedants against Plutella xylostella
T2 - a pest management approach
AU - Singh, Rahul
AU - Bhardwaj, Vijay Kumar
AU - Dolma, Shudh Kirti
AU - Kumar, Sandeep
AU - Reddy, S. G.Eswara
AU - Purohit, Rituraj
N1 - Publisher Copyright:
© 2023 The Royal Society of Chemistry.
PY - 2023/6/15
Y1 - 2023/6/15
N2 - Odorant-binding proteins (OBPs) and odorant receptors (ORs) have emerged as alternative targets for the development of environment-friendly molecules for pest management. The OBPs are the main proteins present in the antennal sensillum lymph of insects to perceive and interact with behaviorally active molecules in the long process of olfactory signal transduction. The disruption of olfaction by means of bioactive molecules could serve as an environment-friendly approach to alter the behavioral outcomes of insects for effective pest management. In this study, we have used in silico and experimental analysis to screen out behaviorally active molecules against Plutella xylostella. The selected molecules were subjected to docking, MD, and SMD simulations to analyze the binding affinity, stability, and conformational changes in the OBP1 and OR1 proteins. On the basis of in silico analysis, two behaviorally active molecules (ethyl gallate and methyl gallate) are selected to further check their antifeedant activity experimentally. Both molecules showed promising antifeedant/deterrent activity against the larvae of Plutella xylostella in experimental analysis at different concentrations, hence having the potential to be developed as novel antifeedants to protect crops grown under greenhouse and field conditions.
AB - Odorant-binding proteins (OBPs) and odorant receptors (ORs) have emerged as alternative targets for the development of environment-friendly molecules for pest management. The OBPs are the main proteins present in the antennal sensillum lymph of insects to perceive and interact with behaviorally active molecules in the long process of olfactory signal transduction. The disruption of olfaction by means of bioactive molecules could serve as an environment-friendly approach to alter the behavioral outcomes of insects for effective pest management. In this study, we have used in silico and experimental analysis to screen out behaviorally active molecules against Plutella xylostella. The selected molecules were subjected to docking, MD, and SMD simulations to analyze the binding affinity, stability, and conformational changes in the OBP1 and OR1 proteins. On the basis of in silico analysis, two behaviorally active molecules (ethyl gallate and methyl gallate) are selected to further check their antifeedant activity experimentally. Both molecules showed promising antifeedant/deterrent activity against the larvae of Plutella xylostella in experimental analysis at different concentrations, hence having the potential to be developed as novel antifeedants to protect crops grown under greenhouse and field conditions.
UR - http://www.scopus.com/inward/record.url?scp=85165403616&partnerID=8YFLogxK
U2 - 10.1039/d3me00036b
DO - 10.1039/d3me00036b
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AN - SCOPUS:85165403616
SN - 2058-9689
VL - 8
SP - 1195
EP - 1202
JO - Molecular Systems Design and Engineering
JF - Molecular Systems Design and Engineering
IS - 9
ER -