PCILO studies on anti-AIDS agents: conformation of ddG and ddAPR Original Research Article

Conformational preferences of two anti-AIDS agents: 2′,3′-dideoxyguanosine (ddG) and 2′,3′-dideoxy-2,6-diaminopurine riboside (ddAPR) have been investigated by using the semi-empirical quantum mechanical PCILO method. The computations have been carried on these anti-AIDS agents having both C2′-endo and C3′-endo sugar puckers as well as their respective parent molecules, guanosine (G) and 2,6-diaminopurine riboside (APR). The results obtained exhibit a remarkable similarity in the conformation of these anti-AIDS agents and their parent nucleosides. The important biological significance of this result has been discussed in the light of our earlier results on the conformation on azidothymidine (AZT) which is the most widely used anti-AIDS drug throughout the world.