HIV Protein Inhibitor Prediction

How to use

The QSAR models have been integrated into a freely available and easy to use web server, 'HIVprotI', where users can predict the antiviral potential of their query molecules against the different HIV enzymes in terms of IC50/percent inhibition value. HIVprotI web server includes the following modules:

Home Page of the HivProtI webserver highlighting the tools available on the server

Predict the IC50 and Percentage Inhibtion of the Query chemicals

This allows users to submit/sketch their query molecules in JSME editor. Users have to choose the proteins (Integrase/Protease/Reverse transcriptase) on which they want to virtually screen their query chemical compound.

Search the query form the available data sets

This tool allows the users to search the query from the available data of the inhibitors.

Predict the query in batch mode

This tool allows the users to predict the percentage inhibition of the query molecule in batch mode.

Designing the analogs

This tool allows the users to design the analogs from the scaffold, building blocks and the linker using Smilib software and further predict their percentage inhibition using the models developed by us.