Cancer remains a basic burden to public health despite substantial efforts aimed at developing effective chemotherapeutics. The goal of the project is to screen for common signature in novel drug targets and identification of potential lead molecules by analysis and prediction of its ADMET properties with high specificity. In the present study we have screened all 11,000 entries for Human Cancer Proteins available in PDB and retrieved 12 hits classified according to space group, accessible/buried surface area, and free energy of dissociation and further considered for the analysis of cation-pi interactions study results showed that high exposed percentage for Lys and Arg due to their hydrophilic properties and having high accessible surface area. Phe was having low percentage of exposed compared to other residues due to its hydrophobic nature. Ligands were screened through HitsGen by Inventus software, which is a standalone software that performs ADMET screening for ligands through six assays namely CACO, efflux, BBB, FDP,VDSS and finally 8 ligands that are being satisfied through all the screening results which are further analysed by docking studies using NOVODOCKER. We have observed that Tyr,Thr,Asp residues have significantly involved in donor /acceptor interaction, Though there is no significant PPI is observed among all the targets. After screening 216 hits and performing protein -ligand interaction studies revealed that Leucovorin and Morphine are potential ligands among 216 hits which can be further analysed for In vivo studies
