Abstract

SCREENING OF PHYTOCHEMICALS OF TRICHOPUS ZEYLANICUS ssp. Travancoricus BY INSILICO APPROACH-NEW TRENDS

Manza M.M. and Oommen P. Saj*

ABSTRACT

Traditional medicines were used by people all over the world as it is dependent on locally available plant species and plant based products and capitalizes on traditional wisdom-repository of knowledge. Computational (in silico) methods have been developed and widely applied to pharmacology hypothesis development and testing. It is clear that the preclinical studies in cancer biology are expensive. Such studies involving in vitro and in vivo animal experiments involve hypothesis generation and testing to determine whether further trials are warranted and are extremely costly both in terms of researchers‟ time and the associated financial investment. In silico experimental modeling of cancer involves combining findings from biological literature with computer-based models of biological systems in order to conduct investigations of hypotheses entirely in the computer laboratory.. All the four phytochemicals studied showed interaction with the target protein Bcl-2. Benzopyran showed hydrogen bonding with the 143rd His of Bcl2 target protein. Whereas both Vitexin and Vicinin showed hydrogen bonding with the 68th ARG. Beta Sitosterol and Vitexin showed a hydrogen bonding with the 22 Lys residue of the target protein Bcl2 receptor. Vicenin also showed bonding with Asn122andArg65oftargetprotein.Traditional laboratory-based cancer research may be followed as the results were promising.

Keywords: Trichopus zeylanicus ssp. Travancoricus, by insilico approach, molecular docking, molecular visualistion.