3.8 Article

Molecular docking and in vitro analysis of phyto-extracts from B. serrata for antibacterial activities

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BIOINFORMATION
卷 17, 期 7, 页码 667-672

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BIOMEDICAL INFORMATICS
DOI: 10.6026/97320630017667

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Plant extract; GCMS; bioactive compounds; Molecular docking

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The bioactives in Boswellia serrata play a role in ulcer healing therapies, with ethanol extract showing some antibacterial effects against E. coli, and Cholan-24-oic acid, 3,12-bis(acetyloxy) exhibiting high binding energy in molecular docking.
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 30 mu g. The ethanolic extract of the B. serrata shows a susceptibility of 19mm towards E. coli at 60 mu g 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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