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Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets

Hedychium rubrum, a traditional medicinal plant of Manipur belonging to the family Zingeberaceae was screened for its biological activity. The methanolic extract of its rhizome was prepared by Soxhlet extraction method and was further subjected to GC-MS to know its bioactive compounds. The in vitro...

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Autores principales: Sangeeta Devi, Ksh, Damayanti Devi, M, Chetan Das, N, Velmurugan, D, Rajen Singh, N
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10465776/
https://www.ncbi.nlm.nih.gov/pubmed/37654842
http://dx.doi.org/10.6026/97320630018943
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author Sangeeta Devi, Ksh
Damayanti Devi, M
Chetan Das, N
Velmurugan, D
Rajen Singh, N
author_facet Sangeeta Devi, Ksh
Damayanti Devi, M
Chetan Das, N
Velmurugan, D
Rajen Singh, N
author_sort Sangeeta Devi, Ksh
collection PubMed
description Hedychium rubrum, a traditional medicinal plant of Manipur belonging to the family Zingeberaceae was screened for its biological activity. The methanolic extract of its rhizome was prepared by Soxhlet extraction method and was further subjected to GC-MS to know its bioactive compounds. The in vitro antimicrobial activity assay was tested against five bacteria causing UTI. Klebseilla pneumoniae showed most sensitive followed by Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus and Enterococcus faecalis in the order. Plant extract showed higher inhibition zone than the positive control used. According to the higher quality of compounds from the GCMS results nine compounds were selected for further in silico studies using GOLD software against four protein targets. The phytoconstituents present in the methanolic extract have the ability to bind at the receptor site of all four targeted proteins. ADMET and TOPKAT studies were also carried out.
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spelling pubmed-104657762023-08-31 Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets Sangeeta Devi, Ksh Damayanti Devi, M Chetan Das, N Velmurugan, D Rajen Singh, N Bioinformation Research Article Hedychium rubrum, a traditional medicinal plant of Manipur belonging to the family Zingeberaceae was screened for its biological activity. The methanolic extract of its rhizome was prepared by Soxhlet extraction method and was further subjected to GC-MS to know its bioactive compounds. The in vitro antimicrobial activity assay was tested against five bacteria causing UTI. Klebseilla pneumoniae showed most sensitive followed by Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus and Enterococcus faecalis in the order. Plant extract showed higher inhibition zone than the positive control used. According to the higher quality of compounds from the GCMS results nine compounds were selected for further in silico studies using GOLD software against four protein targets. The phytoconstituents present in the methanolic extract have the ability to bind at the receptor site of all four targeted proteins. ADMET and TOPKAT studies were also carried out. Biomedical Informatics 2022-10-31 /pmc/articles/PMC10465776/ /pubmed/37654842 http://dx.doi.org/10.6026/97320630018943 Text en © 2022 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Sangeeta Devi, Ksh
Damayanti Devi, M
Chetan Das, N
Velmurugan, D
Rajen Singh, N
Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets
title Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets
title_full Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets
title_fullStr Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets
title_full_unstemmed Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets
title_short Molecular docking analysis of GC-MS analyzed bioactive compounds from the rhizome of Hedychium rubrum with four protein targets
title_sort molecular docking analysis of gc-ms analyzed bioactive compounds from the rhizome of hedychium rubrum with four protein targets
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10465776/
https://www.ncbi.nlm.nih.gov/pubmed/37654842
http://dx.doi.org/10.6026/97320630018943
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