Abstract: Increased production of new anticancer drugs has developed demand for human animal models for test subjects. In the present piece of work, a computational approach was used to study the drug- protein interaction in animal models and humans of Geneticin G418, Plitidepsin, Desmethyl pateamine A. The animal models and human proteins were analysed for the similarity in protein structure by multiple sequence alignment and structural analysis. Previous studies had reported interaction of specific amino acid residues in the protein target with the drug. FoldX was performed to mutate the drug binding residues, that were different in animal models compared to humans to know the drug-protein interaction in specific animal models, We docked the drug using autodock to the target proteins, and studied the binding properties of drugs: Geneticin G418 bound to Ornithine Decarboxylase, Plitidepsin bound to eEF1A-II, and desmethyl pateamine A bound to eIF4A-I. Structural analysis of the drug with the animal model protein and its interaction were visualised in pyMOL. The target protein functional pathway was also checked for their conservation in both humans and human animal models. The protein Ornithine Decarboxylase of Monkey showed 98.05 percent similarity, eEF1A-II and eIF4A-I of Monkey Rabbit showed 100 percent similarity to human proteins respectively making them effective animal models. This computational analysis allows us to analyse which animal model will be best for testing specific drugs that will help choose appropriate animal test subjects.

Keywords: Geneticin G418, Plitidepsin, Desmethyl pateamine A, eIF4A-I, eEF1A-II, Ornithine Decarboxylase, Human animal models, Cancer.

| DOI: 10.17148/IARJSET.2022.9279