IDENTIFICATION OF THE COMPOUNDS OF ADATHODA VASICA BY GC MS ANALYSIS AND PROBING THE MODE OF ACTION OF THE COMPOUNDS BY INSILICO STUDY
Objective: The present study was aimed to investigate the promising compound of ethanol extracts of Adathoda vasica against respiratory isolates by GC-MS analysis and Insilico studies.
Methods: The leaves of the chosen plant was extracted with ethanol, evaporated in vaccum and stored for further study. The ethanol extract was analyzed for antibacterial activity against respiratory pathogens. To determine the dosage of the extracts against target respiratory isolates, minimal inhibitory concentration has been determined by broth dilution method. The extract was screened to identify the promising compounds by GC-MS and Docking was performed using Schrodinger software to determine the effective of these compounds with target proteins against respiratory infections.
Results: The ethanol extract of Adathoda vasica showed promising antibacterial activity by agar diffusion method, to determine the dosage minimal inhibitory concentration has been determined by broth dilution method (MIC=3.125mg),were highly susceptible to the extract. The ethanol extract subjected to the GC-MS analysis, based on the percentage of peak area, the 3 promising compounds were chosen for docking analysis. Insilico studies had showed effective binding with target protein 2WYP (Sialic acid binding protein) and 1X7Y(Î±-Ketoacid dehydrogenase).
Conclusion: The above study concludes that plant Adathoda vasica can be used in Ayurvedic treatment and has no side effect to cure both lower and respiratory infections. Thus we can also extend our study to drug formation
Keywords: Adathoda vasica, GC-MS, 2-4(but-2-yl)phenyl)propanoicacid, N,N-dimethylglycine n-Hexanedecanoic acid.
2. Sonibare MA, Soladoye MO, Esan OO, Sonibare OO. Phytochemical and antimicrobial studies of four species of Cola Schott and Endl. (Sterculiaceae). Afr J Tradit Complement Altern Med 2009;6(4):518-25.
3. Mohammad NS, Srinivasulu A, Chittibabu B, Rao UM. Isolation and purification of antibacterial principle from Avicennia marina L. in methanol. Int J Pharm Pharm Sci 2015;7(1):38-41.
4. Colman PM. Influenza virus neuraminidase: Structure, antibodies, and inhibitors. Protein Sci 1994;3(3):1687-96.
5. Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, et al. Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J Med Chem 2006;49(21):6177-96.
6. Bako SS, Madu PC. Phytochemical and antibacterial investigation of crude extract of the leaves of Erythina senegalensis. Indian J Bot Res 2007;3(1):17-22.
7. Palombo EA, Semple SJ. Antibacterial activity of traditional Australian medicinal plants. J Ethnopharmacol 2001;77(2-3):151-7.
8. Ilango K, Chitra V, Kanimozhi K, Balaji R. Antidiabetic, antioxidani and antibacterial of leaf extract of Adhatoda zeylanica. medic (Acanthaceae). J Pharm Sci Res 2009;1(2):67-73.
9. Giday M. An ethnobotanical study of medicinal plants used by the Zay people in Ethiopia. Skriftser J Phytomedicine 2001;3:81-99.
10. Muthukumar V, Vanisree AJ. Molecular interaction of Survivin and Piperine by computational docking analyses for neuroblastoma targeting. Ann Neurosci 2011;18(4):145-7.
The publication is licensed under CC By and is open access. Copyright is with author and allowed to retain publishing rights without restrictions.