ABSTRACT:
Colorectal cancer is the third most commonly occurring cancer in men and the second most commonly occurring cancer in women.The aim of the present study was to identify the anticolorectal cancer potential of a series of novel glutathione analogues. Glutathione, a tripeptide, was identified as the template molecule for the study. A series of the template analogues were then designed using various computational tools and targeted against colorectal carcinoma resulted from APC mutations. The rational design of the new molecules involved minute structural modifications in the amino acid chains that constituted the glutathione moiety. All the designed molecules were computationally analysed for their effective drug responses.The newly designed molecules showed good docking scores and interaction capacities on the targeted protein. The effective drug responses were also found to be higher.All the proposed analogues were found to be agreeable anticolorectal cancer alternatives with improved efficacy and safety. Probably in future, these compounds might serve as lead molecules in the development of novel cytotoxic agents.