Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation

Inflammation is a process triggered by pro-inflammatory cytokines and anti-inflammatory molecules. Therefore, it is of interest to document the anti-inflammatory activity of Stachydrine and Sakuranetin against the inflammatory target proteins IL-6 and TNF-α by using molecular docking analysis. Both...

Descripción completa

Detalles Bibliográficos
Autores principales: Prathap, Lavanya, Jayaraman, Selvaraj, Roy, Anitha, Santhakumar, Preetha, Jeevitha, M
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8225604/
https://www.ncbi.nlm.nih.gov/pubmed/34234397
http://dx.doi.org/10.6026/97320630017363
_version_ 1783712119727849472
author Prathap, Lavanya
Jayaraman, Selvaraj
Roy, Anitha
Santhakumar, Preetha
Jeevitha, M
author_facet Prathap, Lavanya
Jayaraman, Selvaraj
Roy, Anitha
Santhakumar, Preetha
Jeevitha, M
author_sort Prathap, Lavanya
collection PubMed
description Inflammation is a process triggered by pro-inflammatory cytokines and anti-inflammatory molecules. Therefore, it is of interest to document the anti-inflammatory activity of Stachydrine and Sakuranetin against the inflammatory target proteins IL-6 and TNF-α by using molecular docking analysis. Both compounds showed good binding features with the selected target proteins. Compared to Sakuranetin, the Stachydrine have low binding energy and good hydrogen bond interactions. Hence, data show that Stachydrine possessed high and specific inhibitory activity on tumor necrosis factor-α and interleukin-6.
format Online
Article
Text
id pubmed-8225604
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher Biomedical Informatics
record_format MEDLINE/PubMed
spelling pubmed-82256042021-07-06 Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation Prathap, Lavanya Jayaraman, Selvaraj Roy, Anitha Santhakumar, Preetha Jeevitha, M Bioinformation Research Article Inflammation is a process triggered by pro-inflammatory cytokines and anti-inflammatory molecules. Therefore, it is of interest to document the anti-inflammatory activity of Stachydrine and Sakuranetin against the inflammatory target proteins IL-6 and TNF-α by using molecular docking analysis. Both compounds showed good binding features with the selected target proteins. Compared to Sakuranetin, the Stachydrine have low binding energy and good hydrogen bond interactions. Hence, data show that Stachydrine possessed high and specific inhibitory activity on tumor necrosis factor-α and interleukin-6. Biomedical Informatics 2021-02-28 /pmc/articles/PMC8225604/ /pubmed/34234397 http://dx.doi.org/10.6026/97320630017363 Text en © 2021 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
Prathap, Lavanya
Jayaraman, Selvaraj
Roy, Anitha
Santhakumar, Preetha
Jeevitha, M
Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation
title Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation
title_full Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation
title_fullStr Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation
title_full_unstemmed Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation
title_short Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation
title_sort molecular docking analysis of stachydrine and sakuranetin with il-6 and tnf-α in the context of inflammation
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8225604/
https://www.ncbi.nlm.nih.gov/pubmed/34234397
http://dx.doi.org/10.6026/97320630017363
work_keys_str_mv AT prathaplavanya moleculardockinganalysisofstachydrineandsakuranetinwithil6andtnfainthecontextofinflammation
AT jayaramanselvaraj moleculardockinganalysisofstachydrineandsakuranetinwithil6andtnfainthecontextofinflammation
AT royanitha moleculardockinganalysisofstachydrineandsakuranetinwithil6andtnfainthecontextofinflammation
AT santhakumarpreetha moleculardockinganalysisofstachydrineandsakuranetinwithil6andtnfainthecontextofinflammation
AT jeevitham moleculardockinganalysisofstachydrineandsakuranetinwithil6andtnfainthecontextofinflammation

Ejemplares similares