Biological activity of the nucleoside analogs: A theoretical study

Abstract

Abstract It has been observed through the conformational analysis of nucleoside analogues that in most of the cases these molecules possess similar conformations to their parent molecules. Therefore, it is, generally believed that these molecules are incorporated as such in the nucleic acids during various biological functions, viz., replication, transcription, etc. A theoretical study for such incorporation has been carried out. Charge distribution of the base parts of these molecules has been calculated by using CNDO /2 method wherever they were not available in literature. Electrostatic energies for various base pairs with these bases have been calculated. Also a possible incorporation during transcription has been studied in view of the model developed by Sanyal, Kumar, and Roychoudhury by taking formycin as an examples. The results of these studies are discussed.