Overcoming insecticide resistance through computational inhibitor design.
Acetylcholinesterase
/ genetics
Animals
Aphids
/ drug effects
Carboxylic Ester Hydrolases
/ genetics
Cell Line
Diazinon
/ pharmacology
Female
HEK293 Cells
Humans
Insecticide Resistance
/ genetics
Insecticides
/ pharmacology
Malathion
/ pharmacology
Mice
Mice, Inbred C57BL
Organophosphates
/ pharmacology
Lucilia cuprina
carboxylesterase
covalent docking
insecticide resistance
organophosphates
Journal
Proceedings of the National Academy of Sciences of the United States of America
ISSN: 1091-6490
Titre abrégé: Proc Natl Acad Sci U S A
Pays: United States
ID NLM: 7505876
Informations de publication
Date de publication:
15 10 2019
15 10 2019
Historique:
pubmed:
3
10
2019
medline:
28
3
2020
entrez:
3
10
2019
Statut:
ppublish
Résumé
Insecticides allow control of agricultural pests and disease vectors and are vital for global food security and health. The evolution of resistance to insecticides, such as organophosphates (OPs), is a serious and growing concern. OP resistance often involves sequestration or hydrolysis of OPs by carboxylesterases. Inhibiting carboxylesterases could, therefore, restore the effectiveness of OPs for which resistance has evolved. Here, we use covalent virtual screening to produce nano-/picomolar boronic acid inhibitors of the carboxylesterase αE7 from the agricultural pest
Identifiants
pubmed: 31575743
pii: 1909130116
doi: 10.1073/pnas.1909130116
pmc: PMC6800356
doi:
Substances chimiques
Insecticides
0
Organophosphates
0
Carboxylic Ester Hydrolases
EC 3.1.1.-
Acetylcholinesterase
EC 3.1.1.7
Malathion
U5N7SU872W
Diazinon
YUS1M1Q929
Banques de données
PDB
['5TYJ', '5TYP']
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
21012-21021Déclaration de conflit d'intérêts
Competing interest statement: G.J.C., C.J.J., and N.L., are inventors on a US patent application (62/443,825) for the described synergists.
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