In vitro and In silico study of Essential oil Components from Eucalyptus tereticornis as Antibacterial agents
Many essential oils are known for their antimicrobial activity and the main target is bacterial cell membrane which is important for bacterial viability and hence the study was done to find the target and effective binding of the components of the Eucalyptus tereticornis essential oil and comparison with the standard drug used for in vitro and in silico studies, A/S combination. In vitro and In silico studies has shown the potential of Eucalyptus tereticornis essential oil in modulating antibacterial resistance and its potential as an antibacterial agent at a conc. of 10µl that was comparable with the standard and also at 50 µl, the zone of inhibition was found to be equivalent to that of standard combinational drug of A/S (10:10) mcg. The In silico studies further confirms its potential to combat antibacterial resistance as the docking results has shown the effective binding of the components of essential oil than the standard in the order ?-Terpinyl acetate (-2.754)> 8-epi-gama-eudermol> beta-eudesmol> L-alpha-Terpineol against PBP3 in comparison with the standard (-0.766). Docking simulation also suggests the effective binding of essential oil components with the beta lactamases as (-2.348) for Salbactam in comparison with (-3.671) Cis-p-mentha-1(7),8-dien-2-ol and also ADME/T studies has shown their ability to partition the bacterial cell membrane with logPo/w for the components for Aromadendrene (5.176), beta-myrcene (4.592). Along with 100% oral 6 absorption and the absorption through gut blood barrier QPPCaco found to be more than 500 for every component of the essential oil, and brain blood barrier that was found to be in range of 0.095 for alpha-terpinylacetate and 1.047 for Aromadendrene.