1 Lead optimization of the novel compounds, based on Cheminformatics and Bioinformatics approaches
2 Synthesis of the designed compounds.
3 Development of high-troughput screening for fast and cheap HIV-1 RT inhibitory activity, based on fluorescence spectroscopy.
4 Development of computational toxicity and ADMET prediction for HIV-1 RT inhibitors, based on QSAR and quantum chemical calculations
5 Investigation on HIV-1 RT / inhibitor complex for explaining the mechanism and action of novel inhibitor and kinetics study, based on both theoretical and experimental (x-ray crystallographic, NMR spectroscopic and isothermal calorimetric titration studies)
