LIGAND BASED PHARMACOPHORE DEVELOPMENT FOR COLORECTAL CANCER DRUGS

Abstract

….Objective: Focusing on the drugs used for chemotherapy and their associatedside effects, there is a need to design and develop new anti-colon cancer drugs with lesser sideeffects and improved efficacy. Pharmacophore model proves to be a very helpful tool servingin the designing and development of new lead compounds. Place and Duration: Departmentof Bioinformatics, Mohammad Ali Jinnah University, Islamabad from January 2014 to May2014. Results: In this paper, pharmacophore of 4 novel anti-colon cancer compounds hasbeen identified and validated for the first time. Using LigandScout the pharmacophore featureswere predicted and 3D pharmacophore have been extracted via VMD software. A training setdata was collected from literature and the proposed model was applied to the training setwhereby validating and verifying their similar activity as that of the most active compounds.Conclusions: The pharmacophore model is a very handy tool for new lead compoundsdiscovery and development. In this study pharmacophore models were built for novel drugs ofcolorectal cancer and they could be recommended for further studies