Ligand based pharmacophore development for colorectal cancer drugs

ABSTRACT

Focusing on the drugs used for chemotherapy and their associated side effects, there is a need to design and develop new anti-colon cancer drugs with lesser side effects and improved efficacy. Pharmacophore model proves to be a very helpful tool serving in the designing and development of new lead compounds. Place and Duration Department of Bioinformatics, Mohammad Ali Jinnah University, Islamabad from January 2014 to May 2014. In this paper, pharmacophore of 4 novel anti-colon cancer compounds has been identified and validated for the first time. Using LigandScout the pharmacophore features were predicted and 3D pharmacophore have been extracted via VMD software. A training set data was collected from literature and the proposed model was applied to the training set whereby validating and verifying their similar activity as that of the most active compounds. The pharmacophore model is a very handy tool for new lead compounds discovery and development. In this study pharmacophore models were built for novel drugs of colorectal cancer and they could be recommended for further studies