Antibacterial - 1A2N-Q1 - Udp-N-Acetylglucosamine Enolpyruvyl Transferase (Mura)

Proteome
1A2N-Q1
Udp-N-Acetylglucosamine Enolpyruvyl Transferase ( Mura )

Udp-N-Acetylglucosamine Enolpyruvyl Transferase (Mura) catalyses an important biosynthetic pathway in bacterial peptidoglycan synthesis used in cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

Jobs times for this query vary and give more hits than usual.


T Skarzynski et al Biochemistry (1998) 37.8 p2572-7

Cancer - 1EV2-Q2 - Fibroblast Growth Factor receptor-2

Cancer
1EV2-Q2
Fibroblast Growth Factor receptor-2

Fibroblast growth factor receptor-2 ( FGFr-2 ) is understood to play a role in signalling cell growth and is a recognised cancer therapy target.

For this query the times taken by test jobs varied giving typical numbes of hits.

A N Plotnikov et al Cell (2000) 101.4 p413-24

Stats Updates not working

There is currently a problem with the Statistic Sites updating.

THINK says it should be fixed in the next 24 to 48 hrs but do not know what is causing it.

No jobs should be lost. So keep sending them in :-)

Cancer - 1YVJ-Q1 - Janus Kinase 3 (JAK3)

Cancer
1YVJ-Q1
Janus Kinase 3 ( JAK3 )

Janus kinase 3 (JAK3) occurs in the immune system, where it plays a key role in signal transmission from cytokine receptors. It is a recognised cancer target - DDT (2005) 10.12 p 839-846.

Test jobs for this query took less time than average jobs giving slightly above average numbers of hits.


T J Boggon et al Blood (2005) 106.3 p996-1002

Alzheimer - 1AAP-Q2 - Amyloid β-Protein precursor

Proteome
1AAP-Q2
Amyloid β-Protein precursor

Amyloid β-Protein precursor (APPI) is believed to be involved in events leading to amyloid deposition which is characteristic of Alzheimer's Disease. An inhibitor may have therapeutic potential.

We expect most jobs for this query to take longer than average giving more hits than usual.

T R Hynes et al Biochemistry (1990) 29.43 p10018-22

HIV - 1C6Y-Q1 - HIV Protease

HIV
1C6Y-Q1
HIV Protease

HIV protease is a recognised drug target. However, mutations of this protein render many of the inhibitors ineffective against mutant strains. This is one of several which are based on different crystal structures.

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

S Munshi et al Acta Cryst (2000) 56D p381

Secondary Cancer - 1GI8-Q1 - Urokinase plasminogen activator (uPA)

Cancer
1GI8-Q1
Urokinase plasminogen activator ( uPA )

Urokinase plasminogen activator (uPA) is a member of the serine protease family of proteins. It is believed that this enzymes plays an important role transporting cancer around the body. If this enzyme is inhibited secondary cancers which can often be fatal are unlikely to develop. This query is based on a different crystal structure to 1sqo-q1 and 1vj9-q2.

Jobs for this query are processed slightly faster than typical jobs giving the usual number of hits.


A Schweinitz et al J Biol Chem (2004) 279 p33613

Scribe is a New Moderator

Scribe has accepted the position of Moderator on the Find-a-Drug Forums

Scribe is replacing Vester after a long time moderating, who has decided it is time for a rest as the garden is getting overgrown ;-)

So Maggilove (none techy sections) and Scribe (techy sections) will be your forum members if you need anything.

Schizophrenia - 1TIW-Q1 - Proline Dehydrogenase

Proteome
1TIW-Q1
Proline Dehydrogenase

Proline Dehydrogenase is associated with increased proline levels in patients with schizophrenia. It has been suggested that a molecule which inhibits Proline Dehydrogenase might be therapeutically beneficial.

The test jobs times were variable with some jobs taking longer than average and giving more hits.

M Zhang et al, Biochemistry (2004) 43.39 p12539-48

Cancer - 1S9J-Q1 Extended Molecule Range

1S9J-Q1 Cancer Query has had its molecule range extended, that generaly signifies we have been getting good results from this query.

Since this has been extended you can get a good idea of how it will hit and take to complete a job by looking at the below information

Cancer - 1RY7-Q2 - Fibroblast growth factor receptor-3

Cancer
1RY7-Q2
Fibroblast growth factor receptor-3

Fibroblast growth factor receptor-3 (FGFr-3) is understood to play a role in signalling cell growth and is a recognised cancer therapy target.

Test jobs for this query took less time than average jobs giving slightly above average numbers of hits.

S K Olsen et al Proc Nat Acad Sci (2004) 101 p935

Anti-Bacterial - 1EK6-Q1 - UDP-galactose 4-epimerase

Proteome
1EK6-Q1
UDP-galactose 4-epimerase

UDP-galactose 4-epimerase catalyzes the interconversion of UDP-galactose and UDP-glucose during normal galactose metabolism. An inhibitor would be expected to have anti-bacterial properties although if the molecule was non-selective there would be a risk of galactosemia as a side-effect. This query is based on a different crystal structure to 1hzj-q1.

Job times for this query varied with an average time less than 10 hours on a typical PC and above average numbers of hits.


J B Thoden et al, J Biol Chem (2001) 276.18 p15131-6

Alzheimer's - 1TQF-Q1 - Beta-secretase (Memapsin 2)

Proteome
1TQF-Q1
Beta-secretase ( Memapsin 2 )

Beta-secretase is a recognised drug design target for Alzheimer's disease for which peptide inhibitors are already known. Such inhibitors are of little clinical use because of their high molecular mass. This query is based on a different crystal structure to 1fkn-q3, 1m4h-q2 and 1sx7-q1.

Test jobs for this query gave more hits than average with jobs taker longer than usual.


L Hong et al Science (2000) 290 p150

Cancer - 1T46-Q1 - c-Kit Tyrosine Kinase

Cancer
1T46-Q1
c-Kit Tyrosine Kinase

c-Kit Tyrosine Kinase is a transmembrane protein that initiates cell growth signalling. Mutations of c-Kit can result in over-stimulation when the natural regulation fails. This has been observed in gastrointestinal stromal tumors, germ cell tumors, mast cell and myeloid leukemias, and in mastocytosis. An inhibitor might be useful therapeutically for a range of different cancers.

We expect jobs for this query to give than typical numbers of hits faster than recent queries.

C D Mol et al, J Biol Chem (2004) 279.30 p31655-63

HIV - 1C6X-Q1 - HIV Protease

HIV
1C6X-Q1
HIV Protease

HIV protease is a recognised drug target. However, mutations of this protein render many of the inhibitors ineffective against mutant strains. This is one of several which are based on different crystal structures.

We expect this query to give above normal numbers of hits and higher than average job times on a typical PC.


S Munshi et al Acta Cryst (2000) 56D p381

Proteome - 1QTN-Q1 - neurodegenerative diseases, stroke

Proteome
1QTN-Q1
Caspase-3

Caspases play a key role in inflammation and apoptosis (cell death). Inhibition of this enzyme would be expected to prolong cell-life. In some neurodegenerative diseases, neuron death is associated with progression of the disease and a caspase-8 inhibitor might be therapeutically useful. Such a therapy may also be of benefit to stroke victims.

This query gave above average numbers of hits in test jobs taking longer than average.

W Watt et al, Structure (1999) 7 p1135

Cancer - 1U59-Q1 - ZAP-70 (SYK-related) Tyrosine Kinase

Cancer
1U59-Q1
ZAP-70 (SYK-related) Tyrosine Kinase

Many Tyrosine Kinases including SYK are inhibited by some anti-cancer drugs. Tyrosine Kinases are also associated with rheumatoid arthritis, inflammation and immunological responses. A lack of selectivity might cause undesirable side-effects and prohibit long term use as preventative treatment.

We expect jobs for this query to take longer than typical jobs giving more hits.


L Jin et al J Biol Chem (2004) 279 p42818

35 Queries Closing - on 1st August

35 of the Old Queries will be officialy closed to results on the 1st August 2005(unless they get extended)

These are as follows

1wms-q1 1t76-q1 1rv1-q2 1w22-q1 1sqo-q1 1qzy-q1 1q1y-q2
1vj9-q2 1g0y-q1 1lf2-q1 1nxk-q2 1bis-q2 1ctq-q1 1rzj-q1
1uu3-q1 1f0j-q1 1q5k-q1 1qs4-q2 1s78-q1 1cjb-q2 1vet-q1
1mry-q1 1nkp-q2 1bkc-q1 1luj-q1 1ukh-q1 1d6n-q1 1s9i-q1
1s9j-q1 1dvy-q2 1sj0-q1 1el3-q2 1jqe-q1 1ptz-q1 1nkp-q3

fadspycli New Linux information tool

Blackbird has ported the core function of FADSpy (Windows) into a Linux command line monitoring tool that he's calling fadspycli

It requires THINK_KDFOLD to be enabled and is only compatible with the 1.30 clients. The 1.30 clients are current in beta at the moment.
So if your using 1.25g then you cannot use it. (You can use FADInfo though)

The program is open source and you are encouraged to help develop it.

See an example output and development thread at the Find-a-Drug forums here

Antibacterial - 1KGQ-Q2 - Tetrahydrodipicolinate N-succinyltransferase (DapD)

Proteome
1KGQ-Q2
Tetrahydrodipicolinate N-succinyltransferase (DapD)

Tetrahydrodipicolinate N-succinyltransferase (DapD)catalyses an important biosynthetic pathway in bacteria, providing meso-diaminopimelate as a building block for cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

Jobs times for this query vary and give typical numbers of hits.

T W Beaman et al Protein Sci (2002) 11.4 p974-9