Does anyone let me know about the methods to screen anti-HIV activity for new chemical compounds which are expected to act on HIV-1 reverse transcriptase.
I require both in silico as well as in vitro screening methods.
Thanks for the references Prof. Vladimir A. Kulchitsky, I am going through these reference that you have provided..
The best way to do in-silico screening is first do docking of the compounds on the active site of HIV-1 RT (it may be active or allosteric site). Choose a prototype ligand if you think you need to compare the activity of your ligands against some prototype compound. Then do a MM/GBSA or TI based. The more negative MM/GBSA or TI based binding free energy the better the inhibitor. Then you can rank the inhibitors accordingly and perform in-vitro enzymatic assay. See the below link to see a good paper describing the process
http://pubs.acs.org/doi/abs/10.1021/ci500309a
http://link.springer.com/article/10.1007%2Fs00044-014-1185-8
http://pubs.acs.org/doi/abs/10.1021/ci4007326
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