Molecular docking analysis of COX-2 with compounds from Piper longum

Piper longum (Indian long pepper) is known for its use as an anti inflammatory agent in Indian Ayurvedic System of medicine. Therefore, it is of interest to document the molecular docking analysis of compounds from Piper longum with COX-2 using the Autodock Vina PyRx tool. Molecular docking results...

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Detalles Bibliográficos
Autores principales: Tripathi, Dhirendra, Koora, Sravanthi, Satyanarayana, K, Saleem Basha, S, Jayaraman, Selvaraj
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819790/
https://www.ncbi.nlm.nih.gov/pubmed/35173384
http://dx.doi.org/10.6026/97320630017623
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author Tripathi, Dhirendra
Koora, Sravanthi
Satyanarayana, K
Saleem Basha, S
Jayaraman, Selvaraj
author_facet Tripathi, Dhirendra
Koora, Sravanthi
Satyanarayana, K
Saleem Basha, S
Jayaraman, Selvaraj
author_sort Tripathi, Dhirendra
collection PubMed
description Piper longum (Indian long pepper) is known for its use as an anti inflammatory agent in Indian Ayurvedic System of medicine. Therefore, it is of interest to document the molecular docking analysis of compounds from Piper longum with COX-2 using the Autodock Vina PyRx tool. Molecular docking results show that asarinine, sesamine, fargesin, and piperlonguminine have optimal binding energy of 10, 10, -9.5 and 9.4 Kcal/mol, respectively for further consideration.
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spelling pubmed-88197902022-02-15 Molecular docking analysis of COX-2 with compounds from Piper longum Tripathi, Dhirendra Koora, Sravanthi Satyanarayana, K Saleem Basha, S Jayaraman, Selvaraj Bioinformation Research Article Piper longum (Indian long pepper) is known for its use as an anti inflammatory agent in Indian Ayurvedic System of medicine. Therefore, it is of interest to document the molecular docking analysis of compounds from Piper longum with COX-2 using the Autodock Vina PyRx tool. Molecular docking results show that asarinine, sesamine, fargesin, and piperlonguminine have optimal binding energy of 10, 10, -9.5 and 9.4 Kcal/mol, respectively for further consideration. Biomedical Informatics 2021-06-30 /pmc/articles/PMC8819790/ /pubmed/35173384 http://dx.doi.org/10.6026/97320630017623 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
Tripathi, Dhirendra
Koora, Sravanthi
Satyanarayana, K
Saleem Basha, S
Jayaraman, Selvaraj
Molecular docking analysis of COX-2 with compounds from Piper longum
title Molecular docking analysis of COX-2 with compounds from Piper longum
title_full Molecular docking analysis of COX-2 with compounds from Piper longum
title_fullStr Molecular docking analysis of COX-2 with compounds from Piper longum
title_full_unstemmed Molecular docking analysis of COX-2 with compounds from Piper longum
title_short Molecular docking analysis of COX-2 with compounds from Piper longum
title_sort molecular docking analysis of cox-2 with compounds from piper longum
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819790/
https://www.ncbi.nlm.nih.gov/pubmed/35173384
http://dx.doi.org/10.6026/97320630017623
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