RÉSUMÉ
Molecular Docking is safe and easy to use tool helps in investigating, interpreting, explaining and identification of molecular properties using three-dimensional structures. Molecular docking is used to predict the structure of the intermolecular complex formed between two or more molecules. When a structure is available for the target, computer-based screening using molecular docking was considered. In the present study, all nine ligands tested against peptide deformylase, New Delhi Metallo-beta-Lactamase-1 and dehydrosqualene synthase resulted in curcumin I as the best compound which showed greater binding affinity towards the active site amino acids of each protein. Curcuma longa and Hedychium coronarium were carried out to test their effective rate of inhibitions against selective protein targets from E. coli, K. pneumonia and S. aureus respectively.
RÉSUMÉ
Chemical substances act as vital substances occurring in living organisms and can be studied through various biotechnological approaches. The characteristic metabolites of a plant species may reflect evolution towards the resistance produced to environment. Evolvulus alsinoides, Evolvulus nummularius and Merrimia tridentata belongs to convolvulaceae members has been taken as experimental plants in the present study. Thin layer chromatography (TLC) has been used as a data collection technique for identification of similar organisms by logical method, from various Rf values occurred by experimentation. Based on phylogenetic analysis using UPGMA method, E.nummularius has shown good matches with both E.alsinoides and M.tridentata. Hence E.nummularius may be showing evolutionary link between E.alsinoides and M.tridentata. Seventeen compounds are visualized with similar Rf values between all these plant members. Hence most of the data are observed to be having similar compounds, which makes to be placed in same family (convolvulaceae).