Mode of action of 3-butylidene phthalide as a competent natural pesticide.
AChE
Molecular docking
Phenol oxidase
Phthalides
Trihydroxy naphthalene reductase
Journal
Pesticide biochemistry and physiology
ISSN: 1095-9939
Titre abrégé: Pestic Biochem Physiol
Pays: United States
ID NLM: 1301573
Informations de publication
Date de publication:
Mar 2020
Mar 2020
Historique:
received:
30
08
2019
revised:
29
01
2020
accepted:
01
02
2020
entrez:
15
4
2020
pubmed:
15
4
2020
medline:
16
4
2020
Statut:
ppublish
Résumé
In this study, the biological activities and mode of action of 3-butylidene phthalide (3-BPH) were studied. 3-BPH had a superior efficiency against microsclerotia of Macrophomina phaseolina compared to the commercial fungicide tricyclazole. The microsclerotia formation and pigmentation were inhibited at 100 μg/mL. Moreover, the fungicide exhibited in silico affinity toward trihydroxy naphthalene reductase (3HNR). Both 3-BPH and tricyclazole showed congruence in the orientation and interaction within the 3HNR active site. 3-BPH displayed a strong interaction with SER-164, TYR-178, and TYR-223, with estimated binding energy and inhibition constant of -6.78 kcal mol
Identifiants
pubmed: 32284131
pii: S0048-3575(20)30026-2
doi: 10.1016/j.pestbp.2020.02.003
pii:
doi:
Substances chimiques
Benzofurans
0
Cholinesterase Inhibitors
0
Pesticides
0
phthalide
8VV922U86J
Acetylcholinesterase
EC 3.1.1.7
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
228-236Informations de copyright
Copyright © 2020 Elsevier Inc. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of Competing Interest The authors declare no conflict of interest.