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Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques

Bacterial Leaf Blight (BLB) disease is an extremely ruinous disease in rice, caused by Xanthomonas oryzae pv. oryzae (Xoo). Although various chemicals are available to manage BLB, they are toxic to the environment as well as humans. Hence there is a need to develop new pesticides as alternatives to...

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Autores principales: Joshi, Tushar, Pandey, Satish Chandra, Maiti, Priyanka, Tripathi, Manish, Paliwal, Ashutosh, Nand, Mahesha, Sharma, Priyanka, Samant, Mukesh, Pande, Veena, Chandra, Subhash
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8202908/
https://www.ncbi.nlm.nih.gov/pubmed/34125862
http://dx.doi.org/10.1371/journal.pone.0252759
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author Joshi, Tushar
Pandey, Satish Chandra
Maiti, Priyanka
Tripathi, Manish
Paliwal, Ashutosh
Nand, Mahesha
Sharma, Priyanka
Samant, Mukesh
Pande, Veena
Chandra, Subhash
author_facet Joshi, Tushar
Pandey, Satish Chandra
Maiti, Priyanka
Tripathi, Manish
Paliwal, Ashutosh
Nand, Mahesha
Sharma, Priyanka
Samant, Mukesh
Pande, Veena
Chandra, Subhash
author_sort Joshi, Tushar
collection PubMed
description Bacterial Leaf Blight (BLB) disease is an extremely ruinous disease in rice, caused by Xanthomonas oryzae pv. oryzae (Xoo). Although various chemicals are available to manage BLB, they are toxic to the environment as well as humans. Hence there is a need to develop new pesticides as alternatives to hazardous chemicals. Therefore, a study was carried out to discover new potent natural pesticides against Xoo from different solvent extracts of Vernonia cinerea. Among all the fractions, the methanolic extract showed the highest inhibition zone. Further, to gain mechanistic insight of inhibitory action, 40 molecules of methanolic extracts were subjected for in silico study against two enzymes D-alanine—D-alanine ligase (Ddl) and Peptide deformylase (PDF). In silico study showed Rutin and Methanone, [1,4-dimethyl-7-(1- methylethyl)-2- azulenyl]phenyl have a good binding affinity with Ddl while Phenol, 2,4-bis(1-phenylethyl)- and 1,2-Benzenedicarboxylic acid, diisooctyl ester showed an excellent binding affinity to PDF. Finally, the system biology approach was applied to understand the agrochemical’s effect in the cell system of bacteria against both the enzymes. Conclusively, these four-hit compounds may have strong potential against Xoo and can be used as biopesticides in the future.
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spelling pubmed-82029082021-06-29 Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques Joshi, Tushar Pandey, Satish Chandra Maiti, Priyanka Tripathi, Manish Paliwal, Ashutosh Nand, Mahesha Sharma, Priyanka Samant, Mukesh Pande, Veena Chandra, Subhash PLoS One Research Article Bacterial Leaf Blight (BLB) disease is an extremely ruinous disease in rice, caused by Xanthomonas oryzae pv. oryzae (Xoo). Although various chemicals are available to manage BLB, they are toxic to the environment as well as humans. Hence there is a need to develop new pesticides as alternatives to hazardous chemicals. Therefore, a study was carried out to discover new potent natural pesticides against Xoo from different solvent extracts of Vernonia cinerea. Among all the fractions, the methanolic extract showed the highest inhibition zone. Further, to gain mechanistic insight of inhibitory action, 40 molecules of methanolic extracts were subjected for in silico study against two enzymes D-alanine—D-alanine ligase (Ddl) and Peptide deformylase (PDF). In silico study showed Rutin and Methanone, [1,4-dimethyl-7-(1- methylethyl)-2- azulenyl]phenyl have a good binding affinity with Ddl while Phenol, 2,4-bis(1-phenylethyl)- and 1,2-Benzenedicarboxylic acid, diisooctyl ester showed an excellent binding affinity to PDF. Finally, the system biology approach was applied to understand the agrochemical’s effect in the cell system of bacteria against both the enzymes. Conclusively, these four-hit compounds may have strong potential against Xoo and can be used as biopesticides in the future. Public Library of Science 2021-06-14 /pmc/articles/PMC8202908/ /pubmed/34125862 http://dx.doi.org/10.1371/journal.pone.0252759 Text en © 2021 Joshi et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Joshi, Tushar
Pandey, Satish Chandra
Maiti, Priyanka
Tripathi, Manish
Paliwal, Ashutosh
Nand, Mahesha
Sharma, Priyanka
Samant, Mukesh
Pande, Veena
Chandra, Subhash
Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
title Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
title_full Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
title_fullStr Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
title_full_unstemmed Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
title_short Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
title_sort antimicrobial activity of methanolic extracts of vernonia cinerea against xanthomonas oryzae and identification of their compounds using in silico techniques
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8202908/
https://www.ncbi.nlm.nih.gov/pubmed/34125862
http://dx.doi.org/10.1371/journal.pone.0252759
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