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http://krishi.icar.gov.in/jspui/handle/123456789/72409
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DC Field | Value | Language |
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dc.contributor.author | Sunil Kumar | en_US |
dc.contributor.author | Khurshid Ahmad | en_US |
dc.contributor.author | Santosh Kumar Behera | en_US |
dc.contributor.author | Dipak T. Nagrale | en_US |
dc.contributor.author | Anurag Chaurasia | en_US |
dc.contributor.author | Manoj Kumar Yadav | en_US |
dc.contributor.author | Sneha Murmu | en_US |
dc.contributor.author | Yachana Jha | en_US |
dc.contributor.author | Mahendra Vikram Singh Rajawat | en_US |
dc.contributor.author | Deepti Malviya | en_US |
dc.contributor.author | Udai B. Singh | en_US |
dc.contributor.author | Raja Shankar | en_US |
dc.contributor.author | Minaketan Tripathy | en_US |
dc.contributor.author | Harsh Vardhan Singh | en_US |
dc.date.accessioned | 2022-05-30T06:07:39Z | - |
dc.date.available | 2022-05-30T06:07:39Z | - |
dc.date.issued | 2022-05-01 | - |
dc.identifier.citation | Kumar, S.; Ahmad, K.; Behera, S.K.; Nagrale, D.T.; Chaurasia, A.; Yadav, M.K.; Murmu, S.; Jha, Y.; Rajawat, M.V.S.; Malviya, D.; Singh, U.B.; Shankar, R.; Tripathy, M.; Singh, H.V.(2022). Biocomputational Assessment of Natural Compounds as a Potent Inhibitor to Quorum Sensors in Ralstonia solanacearum. Molecules, 27, 3034. https://doi.org/10.3390/molecules27093034 | en_US |
dc.identifier.issn | Not Available | - |
dc.identifier.uri | http://krishi.icar.gov.in/jspui/handle/123456789/72409 | - |
dc.description | Not Available | en_US |
dc.description.abstract | : Ralstonia solanacearum is among the most damaging bacterial phytopathogens with a wide number of hosts and a broad geographic distribution worldwide. The pathway of phenotype con version (Phc) is operated by quorum-sensing signals and modulated through the (R)-methyl 3-hy droxypalmitate (3-OH PAME) in R. solanacearum. However, the molecular structures of the Phc pathway components are not yet established, and the structural consequences of 3-OH PAME on quorum sensing are not well studied. In this study, 3D structures of quorum-sensing proteins of the Phc pathway (PhcA and PhcR) were computationally modeled, followed by the virtual screening of the natural compounds library against the predicted active site residues of PhcA and PhcR pro teins that could be employed in limiting signaling through 3-OH PAME. Two of the best scoring common ligands ZINC000014762512 and ZINC000011865192 for PhcA and PhcR were further ana lyzed utilizing orbital energies such as HOMO and LUMO, followed by molecular dynamics simu lations of the complexes for 100 ns to determine the ligands binding stability. The findings indicate that ZINC000014762512 and ZINC000011865192 may be capable of inhibiting both PhcA and PhcR. We believe that, after further validation, these compounds may have the potential to disrupt bacte rial quorum sensing and thus control this devastating phytopathogenic bacterial pathogen | en_US |
dc.description.sponsorship | Not Available | en_US |
dc.language.iso | English | en_US |
dc.publisher | MDPI | en_US |
dc.relation.ispartofseries | Not Available; | - |
dc.subject | quorum-sensing | en_US |
dc.subject | PhcA and PhcR | en_US |
dc.subject | molecular docking | en_US |
dc.subject | natural compounds | en_US |
dc.subject | Ralstonia solanacearum | en_US |
dc.title | Biocomputational Assessment of Natural Compounds as a Potent Inhibitor to Quorum Sensors in Ralstonia solanacearum | en_US |
dc.title.alternative | Not Available | en_US |
dc.type | Research Paper | en_US |
dc.publication.projectcode | Not Available | en_US |
dc.publication.journalname | Molecules | en_US |
dc.publication.volumeno | 27 | en_US |
dc.publication.pagenumber | 3034 | en_US |
dc.publication.divisionUnit | Not Available | en_US |
dc.publication.sourceUrl | https://doi.org/10.3390/molecules27093034 | en_US |
dc.publication.authorAffiliation | ICAR-National Bureau of Agriculturally Important Microorganisms, Mau 275103, India | en_US |
dc.publication.authorAffiliation | ICAR-Indian Agricultural Statistics Research Institute, New Delhi 110012, India | en_US |
dc.publication.authorAffiliation | National Institute of Pharmaceutical Education and Research, Ahmedabad 382355, India | en_US |
dc.publication.authorAffiliation | ICAR-Central Institute for Cotton Research, Nagpur 440010, India | en_US |
dc.publication.authorAffiliation | ICAR-Indian Institute of Vegetable Research, Varanasi 221305, India | en_US |
dc.publication.authorAffiliation | SRM University, Sonepat 131029, India | en_US |
dc.publication.authorAffiliation | S.P. University, Anand 388315, India | en_US |
dc.publication.authorAffiliation | ICAR-IIHR, Hessaraghatta Lake Post, Bengaluru 560089, India | en_US |
dc.publication.authorAffiliation | Sitaram Kashyap College of Pharmacy, Rahod 495556, India | en_US |
dc.ICARdataUseLicence | http://krishi.icar.gov.in/PDF/ICAR_Data_Use_Licence.pdf | en_US |
dc.publication.naasrating | 10.45 | en_US |
dc.publication.impactfactor | 4.45 | en_US |
Appears in Collections: | AEdu-IASRI-Publication |
Files in This Item:
File | Description | Size | Format | |
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molecules-27-03034.pdf | 2.4 MB | Adobe PDF | View/Open |
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