Title

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

Authors

Ramsi Vakayil¹, Murugesan Anbazhagan², Gnanendra Shanmugam³, Srinivasan Ramasamy⁴ & Maghimaa Mathanmohun^1,*

Affiliation

¹Department of Microbiology, Muthayammal College of Arts and Science, Rasipuram, Namakkal, Tamilnadu, India; ²Department of Botany, Government Arts and Science College, Thiruvannamalai - 606603. Tamilnadu, India; ³Bioinformatics Division, Origene Biosolutions, Salem 16. Tamilnadu, India; ⁴Member secretary, Tamil Nadu State Council for Science & Technology, Chennai, Tamilnadu, India;

Email

Maghimaa Mathanmohun; Corresponding Author: mmaghimaa@gmail.com & mbkna@muthayammal.in

Article Type

Research Article

Date

Received April 30, 2021; Revised July 7, 2021; Accepted July 10, 2021, Published July 31, 2021

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.

Keywords

Plant extract; GCMS; bioactive compounds; Molecular docking

Citation

Vakayil et al. Bioinformation 17(7): 667-672 (2021)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.