Projects - HIV

Protein

Description

Statistics

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites. This query is based on a different crystal structure to 1hyv.

We expect this queries to give average numbers of hits with below average job times.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites.

This query is a slight variation of 1hyv-q4.

Protease inhibition is established as a key therapeutic approach limiting the progress of HIV. However, mutations of the virus protein have the consequence that resistance develops. This is one of a series of possible queries for HIV-1 protease which explore possible modes of inhibition with the view to finding novel inhibitors which are less susceptible to protein mutations.

We expect this queries to give above average numbers of hits. It requires features which have been added to THINK in version 1.23 and consequently the query will initially only be available to members participating in the beta test.

Protease inhibition is established as a key therapeutic approach limiting the progress of HIV. However, mutations of the virus protein have the consequence that resistance develops. This is one of a series of possible queries for HIV-1 protease which explore possible modes of inhibition with the view to finding novel inhibitors which are less susceptible to protein mutations.

This query has been derived from 1a30-q1 using some initial experimental results indicating activity. It is expected to give fewer hits and shorter jobs than 1a30-q1.

Human immunodeficiency virus (HIV) Nef protein accelerates virulent progression of acquired immunodeficiency syndrome (AIDS) by its interaction with specific cellular proteins involved in signal transduction and host cell activation. Inhibiting Nef from binding to the Src family of kinases has therapeutic potential.

The time taken by our test jobs was variable but less than typical jobs.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites. This query is based on a different crystal structure to 1hyv and replaces 1bis-q1.

We expect this queries to give average numbers of hits with below average job times.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is part of a series of Integrase queries which attempt to find novel inhibitors. The other queries target alternative binding sites or are based on different crystal structures.

We expect jobs for this query to give below average numbers of hits with variable job times.

The entry of HIV into cells requires an interaction between proteins on the surface of the virus and human proteins (CD4 and a chemokine receptor) on the cell surface. It is understood that gp41 binding occurs after gp120 and that a peptide-like molecule which can bind to gp41 prevents HIV entering the cell. Peptide-like molecules have properties which make them unsuitable to be oral drugs. Finding a small molecule which can bind effectively to the gp41 helix will be quite challenging and we expect a low hit rate with this query. Any molecule we predict to be effective will need to be made and tested in the laboratory prior to clinical trials. This process usually takes many years.

The entry of HIV into cells requires an interaction between proteins on the surface of the virus and human proteins (CD4 and a chemokine receptor) on the cell surface. It is understood that gp41 binding occurs after gp120 and that a peptide-like molecule which can bind to gp41 prevents HIV entering the cell. Peptide-like molecules have properties which make them unsuitable to be oral drugs.

This query will only run under THINK 1.25b (or later revisions) and has some subtle but important improvements to 1czq-q1 which result in a moderate hit rate. Jobs usually take a few hours on a typical PC.

Inhibiting this enzyme suppresses hypusine formation and the activation of a cofactor in the HIV-1 Rev regulatory protein. This inhibits the replication of the virus. It has been suggested that this is an attractive drug target because few side-effects are anticipated and especially useful for strains of HIV resistant to other drugs.

The time taken by our test jobs was variable with some jobs taking longer than typical jobs.

The entry of HIV into cells requires an interaction between gp120 on the surface of the virus and human proteins (CD4 and a chemokine receptor) on the cell surface. We aim to find a small molecule which binds to the gp120 protein blocking the site where it would interact with CD4. This would effectively inhibit HIV entering the cell. We hope that because this site is largely conserved across the strains of HIV-1 that any inhibitor would be unaffected by mutations of the HIV virus. Any molecule we predict to be effective will need to be made and tested in the laboratory prior to clinical trials. This process usually takes many years.

The entry of HIV into cells requires an interaction between gp120 on the surface of the virus and human proteins (CD4 and a chemokine receptor) on the cell surface. We aim to find a small molecule which binds to the gp120 protein blocking the site where it would interact with CD4. This would effectively inhibit HIV entering the cell. We hope that because this site is largely conserved across the strains of HIV-1 that any inhibitor would be unaffected by mutations of the HIV virus. Any molecule we predict to be effective will need to be made and tested in the laboratory prior to clinical trials. This process usually takes many years.

This query is a revision of the earlier gp120 protein query 1g9m-q3. The job times are longer than typical jobs.

HIV protease is a recognised drug target. However, mutations of this protein render many of the inhibitors ineffective against mutant strains.

We expect this query to give normal numbers of hits in average times on a typical PC.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites.

We expect this queries to give above average numbers of hits with average job times.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites.

This query is still based on the 1hyv crystal structure. Most jobs complete in less than 1 hour.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites. This query is based on a different crystal structure to 1hyv and 1bis.

We expect this queries to give above average numbers of hits with typical job times.

HIV Integrase is considered a difficult target to inhibit. Merck have announced some success and this is the first of several Integrase queries which attempt to find novel inhibitors. The additional queries will target alternative binding sites. This query is based on a different crystal structure to 1hyv and 1bis. It is a variant of 1qs4-q1 which gives more hits!

We expect this queries to give above average numbers of hits with typical job times.

Inhibiting this enzyme suppresses hypusine formation and the activation of a cofactor in the HIV-1 Rev regulatory protein. This inhibits the replication of the virus. It has been suggested that this is an attractive drug target because few side-effects are anticipated and especially useful for strains of HIV resistant to other drugs. This query is based a different protein crystal structure to 1dhs-q1.

The time taken by our test jobs was variable with some jobs taking longer than typical jobs but mostly giving fewer hits.

The entry of HIV into cells requires an interaction between gp120 on the surface of the virus and human proteins (CD4 and a chemokine receptor) on the cell surface. We aim to find a small molecule which binds to the gp120 protein blocking the site where it would interact with CD4. This would effectively inhibit HIV entering the cell.

This query is based on a different crystal structure to 1g9m. Job times and hits rates are expected to be typical.

It has been suggested that Rab9 GTPase is a key cellular component for a variety of virus related diseases by facilitating vesicular transport. Our main interest in their target is as a HIV-1 drug target. This query is based on a different crystal structure of the same protein as the 1WMS-Q1 query.

We expect this query to give average numbers of hits with job times less than 12 hours on a typical PC.

It has been suggested that Rab9 GTPase is a key cellular component for a variety of virus related diseases by facilitating vesicular transport. Our main interest in their target is as a HIV-1 drug target.

We expect this queries to give above average numbers of hits with average job times.

It has been suggested that Rab9 GTPase is a key cellular component for a variety of virus related diseases by facilitating vesicular transport. Our main interest in their target is as a HIV-1 drug target. This query is based on a different crystal structure of the same protein as the 1WMS-Q1 and 1S8F-Q1 queries.

We expect this query to give above average numbers of hits with job times less than 12 hours on a typical PC.