Molecular docking and pharmacokinetic evaluation of natural compounds as targeted inhibitors against Crz1 protein in Rhizoctonia solani.
Crz1
QSAR
QSTR
chickpea
pharmacokinetic
Journal
Bioinformation
ISSN: 0973-2063
Titre abrégé: Bioinformation
Pays: Singapore
ID NLM: 101258255
Informations de publication
Date de publication:
2019
2019
Historique:
received:
20
03
2019
accepted:
27
03
2019
entrez:
10
7
2019
pubmed:
10
7
2019
medline:
10
7
2019
Statut:
epublish
Résumé
Crz1p regulates Calcineurin, a serine-threonine-specific protein phosphatase, in Rhizoctonia solani. It has attracted consideration as a novel target of antifungal therapy based on studies in numerous pathogenic fungi, including, Cryptococcus neoformans, Candida albicans and Aspergillus fumigatus. To investigate whether Calcineurin can be a useful target for the treatment of Crz1 protein in R. solani causing wet root rot in Chickpea. The work presented here reports the in-silico studies of Crz1 protein against natural compounds. This study Comprises of quantitative structure-toxicity relationship (QSTR) and quantitative structure-activity relationship (QSAR). All compounds showed high binding energy for Crz1 protein through molecular docking. Further, a pharmacokinetic study revealed that these compounds had minimal side effects. Biological activity spectrum prediction of these compounds showed potential antifungal properties by showing significant interaction with Crz1. Hence, these compounds can be used for the prevention and treatment of wet root rot in Chickpea.
Identifiants
pubmed: 31285645
doi: 10.6026/97320630015277
pii: 97320630015277
pmc: PMC6599437
doi:
Types de publication
Journal Article
Langues
eng
Pagination
277-286Commentaires et corrections
Type : ErratumIn
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