LIGAND BASED PHARMACOPHORE DEVELOPMENT FOR COLORECTAL CANCER DRUGS

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Abstract

….Objective: 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. Results: 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.
Conclusions: 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