Thursday, November 10, 2005

HIV protease inhibitor leads

Following up on my last post about Find-A-Drug, Keith Davies has kindly sent me a library of 90 compounds that scored as hits for possible HIV protease inhibition.

Here is a pdf version just to look at.
Here is the library in SDF and ChemSketch version if you want to pluck out one of the molecules to manipulate. A free version of ChemSketch is available here.

We are looking for efficient syntheses of these molecules from commercially available materials. First check that it has not already been done.

We are also looking for someone to do assays.


At 7:50 PM, Anonymous Anonymous said...

I was chmoogling the HIV molecules, and #34/90 is known!

Pubchem compound #658927

Labotest # LT00723505

InterBioScreen # STOCK1S-80879

It shows up in a PubChem search also:

CID: 658927 Links

ZINC00503338, MLS000038741 ...
IUPAC: 3-(benzo[1,3]dioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-urea
MW: 348.375 | MF: C16H16N2O5S

At 4:37 PM, Blogger Jean-Claude Bradley said...

1) There is lots of info online about how they work by preventing virus replication - just do a Google search for "HIV protease inhibitors" and find one of the less technical articles- ask me about the stuff that you need clarification on
2) The good possibility is that we can find a new protease inhibitor for HIV and maybe lead to a new treatment. The negative is that we will test a lot of compounds and get activity from none.
3) The next step would be to execute the synthesis then submit the samples to a collaborator to do testing for protease inhibition activity.


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