Dataset Information

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

ABSTRACT: 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.

SUBMITTER: Joshi T

PROVIDER: S-EPMC8202908 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature

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

Joshi Tushar T Pandey Satish Chandra SC Maiti Priyanka P Tripathi Manish M Paliwal Ashutosh A Nand Mahesha M Sharma Priyanka P Samant Mukesh M Pande Veena V Chandra Subhash S

PloS one 20210614 6

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 methanol ...[more]

PMID: 34125862

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Project description:AbstractGreen synthesis of nanoparticles is an important tool to reduce the harmful effects associated with traditional methods. In the present investigation, we have synthesised gold nanoparticles (AuNPs) using aqueous extract prepared from fresh aerial parts (leaf and stem) of Vernonia cinerea as bioreducing agent. The visual indication of change in colour from pale yellow to brown to ruby-red indicated the successful formation of the AuNPs. Characterization of nanoparticles was carried out by UV-visible spectroscopy, X-ray crystallography (XRD), Transmission electron microscopy (TEM) and Energy dispersive X-ray analysis (EDX). UV-Vis spectra showed a specific peak at 546 nm which was the initial confirmation of the biosynthesized AuNPs. TEM images showed spherical and triangular shape of AuNPs with an average size of 25 nm. From FTIR spectrum, different functional groups were identified that could be responsible for the formation, stabilization, and capping of biosynthesized AuNPs. Aqueous plant extract and biosynthesised AuNPs were separately tested for their antimicrobial activity against six bacterial strains and four fungal strains. Biosynthesised AuNPs (2 mg/ml) showed significantly high zone of inhibition against the selected bacterial strains as compared to the aqueous plant extract. Maximum zone of inhibition (18.2 mm) was observed with AuNPs against Streptococcus pyogenes whereas comparatively less value (12.5 mm) was recorded with the plant extract. Interestingly, the inhibitory activity observed against bacterial strains was even better than ampicillin. Antifungal activity recorded with AuNPs (5 mg/ml) was maximum (17.4 mm) against R. oryzae and it was higher than positive control (17.00 mm) and plant extract (13.2 mm).The present study clearly showed that AuNPs coated with Vernonia cinerea extract were as good as positive control in inhibiting bacterial and fungal growth. In addition, these AuNPs also showed good antioxidant potential which was comparable to ascorbic acid.Graphical abstractSupplementary informationThe online version contains supplementary material available at 10.1007/s12088-021-00976-w.

Project description:Infectious diseases pose a significant threat to human health worldwide. To address this challenge, we conducted a comprehensive study on the leaf and flower extracts of Clitoria ternatea plants. Our research encompassed in vitro assessments of their antibacterial, antibiofilm, antioxidant, and cytotoxic properties. Additionally, we employed in silico screening to identify promising compounds with potential applications in developing novel anti-Escherichia coli medications. Notably, our investigation revealed a remarkable inhibition zone of 13.00 ± 1 mm when applying the leaf extract (200 μg/ml) against E. coli, showcasing its potent antibacterial properties. Furthermore, both the leaf and flower extracts exhibited substantial biofilm inhibition efficacy against S. aureus, with inhibition percentages of 54% and 58%, respectively. In the realm of antioxidant activity, the leaf and flower extracts of C. ternatea displayed noteworthy DPPH free radical scavenging capabilities. Specifically, the leaf extract exhibited a substantial activity of 62.39% at a concentration of 150 μg/ml, while the flower extract achieved 44.08% at the same concentration. Our study also evaluated the impact on brine shrimp, where the floral extract displayed a significantly higher mortality rate of 93.33% at a dosage of 200 μg/ml compared to the leaf extract. To elucidate potential therapeutic targets, we utilized molecular docking techniques, focusing on the acbR protein (5ENR) associated with antibiotic resistance in E. coli. In this analysis, compounds isolated from the C. ternatea leaf extract, namely D1 (CID-14478556), D2 (CID-6423376), and D3 (CID-20393), exhibited binding energies of -8.2 kcal/mol, -6.5 kcal/mol, and -6.3 kcal/mol, respectively. Additionally, compounds from the flower extract, E1 (CID-5282761), E2 (CID-538757), and E3 (CID-536762), displayed binding energies of -5.4 kcal/mol, -5.3 kcal/mol, and -5.1 kcal/mol, respectively. In conclusion, the leaf and flower extracts derived from C. ternatea represent a promising natural resource with potential therapeutic applications in combating antibiotic-resistant pathogens.

Dataset Information

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

Publications

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

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