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Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities

The bioactives of Boswellia serrata have a role in ulcer healing therapies. Eleven bioactive compounds were obtained by GC-MS among which Cholan-24-oic acid, 3,12-bis (acetyl oxy) has a high molecular weight of 490.6719 with a retention time of 26.729. Twenty wound samples were collected aseptically...

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Autores principales: Vakayil, Ramsi, Anbazhagan, Murugesan, Shanmugam, Gnanendra, Ramasamy, Srinivasan, Mathanmohun, Maghimaa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8882077/
https://www.ncbi.nlm.nih.gov/pubmed/35283584
http://dx.doi.org/10.6026/97320630017667
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author Vakayil, Ramsi
Anbazhagan, Murugesan
Shanmugam, Gnanendra
Ramasamy, Srinivasan
Mathanmohun, Maghimaa
author_facet Vakayil, Ramsi
Anbazhagan, Murugesan
Shanmugam, Gnanendra
Ramasamy, Srinivasan
Mathanmohun, Maghimaa
author_sort Vakayil, Ramsi
collection PubMed
description The bioactives of Boswellia serrata have a role in ulcer healing therapies. Eleven bioactive compounds were obtained by GC-MS among which Cholan-24-oic acid, 3,12-bis (acetyl oxy) has a high molecular weight of 490.6719 with a retention time of 26.729. Twenty wound samples were collected aseptically from the labs and hospitals in and around the Namakkal districts of Tamilnadu, India. The antibacterial potential of E.coli showed a maximum inhibition of 27 mm against Tetracycline at 30µg. The ethanolic extract of the B. serrata shows a susceptibility of 19mm towards E. coli at 60µg concentration in MIC. Molecular docking results show the binding energy of Cholan-24-oic acid, 3,12-bis(acetyloxy) -8.6 (kcal/mol) followed by Pyrene, hexadecahydro- -6.7 (kcal/mol), and 5(1H)- Azulenone, 2,4,6,7,8,8a-hexahydro-3,8-dimethyl-4-(1-methylethylidene)-, (8S-cis)- 6.4 (kcal/mol) for further consideration.
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spelling pubmed-88820772022-03-10 Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities Vakayil, Ramsi Anbazhagan, Murugesan Shanmugam, Gnanendra Ramasamy, Srinivasan Mathanmohun, Maghimaa Bioinformation Research Article The bioactives of Boswellia serrata have a role in ulcer healing therapies. Eleven bioactive compounds were obtained by GC-MS among which Cholan-24-oic acid, 3,12-bis (acetyl oxy) has a high molecular weight of 490.6719 with a retention time of 26.729. Twenty wound samples were collected aseptically from the labs and hospitals in and around the Namakkal districts of Tamilnadu, India. The antibacterial potential of E.coli showed a maximum inhibition of 27 mm against Tetracycline at 30µg. The ethanolic extract of the B. serrata shows a susceptibility of 19mm towards E. coli at 60µg concentration in MIC. Molecular docking results show the binding energy of Cholan-24-oic acid, 3,12-bis(acetyloxy) -8.6 (kcal/mol) followed by Pyrene, hexadecahydro- -6.7 (kcal/mol), and 5(1H)- Azulenone, 2,4,6,7,8,8a-hexahydro-3,8-dimethyl-4-(1-methylethylidene)-, (8S-cis)- 6.4 (kcal/mol) for further consideration. Biomedical Informatics 2021-07-31 /pmc/articles/PMC8882077/ /pubmed/35283584 http://dx.doi.org/10.6026/97320630017667 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
Vakayil, Ramsi
Anbazhagan, Murugesan
Shanmugam, Gnanendra
Ramasamy, Srinivasan
Mathanmohun, Maghimaa
Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities
title Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities
title_full Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities
title_fullStr Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities
title_full_unstemmed Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities
title_short Molecular docking and in vitro analysis of phytoextracts from B. serrata for antibacterial activities
title_sort molecular docking and in vitro analysis of phytoextracts from b. serrata for antibacterial activities
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8882077/
https://www.ncbi.nlm.nih.gov/pubmed/35283584
http://dx.doi.org/10.6026/97320630017667
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