CDK HIV-1 Integrase protease HAT GPCR Retniblastoma


Contour based analysis of HTLV-PR inhibitors
  The key objective is to inhibit the replication of HTLV through developing a potent and effective compound targeting HTLV-PR enzyme, by understanding the binding level atom interactions and charge environment present in both ligand and surface of active site of HTLV-PR. The proper identification of binding site features, complementary lead design which appropriately fits to receptor binding environment is essential for high binding affinity through the free energy calculations. FEP calculation are more accurate calculations, thus we are planned to design compounds based on active site requirement and obtain the free energy values. FEP calculation on ligand functional group changes informs the chemical entity, which can enhance the ligand designing. Combined planning of interaction studies, energetic calculation, Quantum mechanics will brought up the inhibitory action towards the HTLV-PR and new novel compounds for T-Cell lymphotropic virus (Anticancer drug design).
Comparitive analysis of HTLV and HIV Proteases
  New chemical classes of compounds must be introduced into the HTLV-PR drug development pipeline in an effort to develop new drug-therapy options for the fight against the HTL-Virus. Protease enzymes are attractive drug targets in dreadful disease like HIV, similar to this HTLV-PR is also reported as attractive target of drug target against HTLV. HTLV-Protease (PR) - the transcriptional enzyme having comparable binding mode of HIV-Protease, but not having the ability to accept the HIV-Protease inhibitors in its binding pocket. The binding pockets of the HTLV-PR are unique in terms of size, shape and amino acid composition compared with HTLV and only very few difference in between them. We are concentrating on the deep understanding of common binding sites involved in HIV and HTLV-Proteases.