Cancer - 1PME-Q1 - Mitogen Activated Protein (MAP) Kinase

Cancer
1PME-Q1
Mitogen Activated Protein (MAP) Kinase

Mitogen Activated Protein (MAP) Kinases are signaling proteins that participate in diverse cellular events and are potential targets for intervention in inflammation, cancer, and other diseases. The MAP kinase this query is based on is known as ERK2 (extracellular-signal-regulated kinase 2) and plays a role in cellular differentiation or proliferation. This query is based on a different crystal structure to 3erk-q1 and 4erk-q1.

For this query the times taken by test jobs and numbers of hits were above average.


Z Wang et al Structure (1998) 6.9 p1117-28

Gauntlet Challenge - All welcome

The Nordlichter invite you to a Gauntlet

Join in and have some fun.

You need teams of up to 15 members, the members are not restricted to your current FaD teams. There is nothing you need to do other than put your names forward and crunch.

100 members in your team then just make a couple of teams up. You can only gather together 8 members no matter that will do.
Remember you can be members from different FaD teams!

There will also be the individual gauntlet details.

Join in and have some fun .

Ask questions at the Find-a-Drug Thread

Read about it here ( or here in english )

FaD Support to be Closed for Holidays

Like everyone, Find-a-drug need a holiday.

Support will not be available from 15th to 22nd August (inclusive) due to annual holidays.
E-mails to support@find-a-drug.org.uk will be answered later in the month.


Note also:
There is a slight risk that the stats will fail during this period. (BT are doing some local network upgrades). If so they will resume on or around the 23 August. In the event of a stats failure no jobs should be lost.

Cancer - 1Q8T-Q1 - cAMP-dependent Protein Kinase (PKA)

Cancer
1Q8T-Q1
cAMP-dependent Protein Kinase ( PKA )

cAMP-dependent Protein Kinase (PKA) is a recognised anti-cancer target - see DDT (2005) 10.12 p839-846. It has previously been considered as primarily an anti-inflammatory target.

Job times for this query took longer and gave more hits than typical queries.

C Breitenlechner et al Structure (2003) 11 p1595

Cancer - 1Y6A-Q1 - Vascular Endothelial Growth Factor Receptor 2 (VEGFR2)

Cancer
1Y6A-Q1
Vascular Endothelial Growth Factor Receptor 2 ( VEGFR2 )

VEGF stimulates the growth of blood vessels. The uncontrolled growth of cancer cells is legendary. But this sort of growth requires a lot of blood flow to the cell area. If the blood vessel growth can be restrained, then, in theory, so can growth of the tumour.

In test jobs, this query took longer than typical jobs and gave above average numbers of hits.

P A Harris et al J Med Chem (2005) 48 1610

AntiBacterial - 1SB8-Q1 - UDP-N-Acetylglucosamine 4-Epimerase

Proteome
1SB8-Q1
UDP-N-Acetylglucosamine 4-Epimerase

Udp-N-Acetylglucosamine 4-Epimerase is a member of a family of UDP-hexose 4-epimerases and is related to UDP-Galactose 4-epimerase. Both of these enzymes play important roles in the biosynthesis of cell wall components. An inhibitor would be expected to have anti-bacterial properties.

Job times for this query took longer than typical jobs giving above average numbers of hits.

N Ishiyama et al J Biol Chem (2004) 279.21 p22635-42

Pain Relief - 1YCJ-Q1 - Kainate Receptor (GluR5)

Proteome
1YCJ-Q1
Kainate Receptor ( GluR5 )

Glutamate is the primary neurotransmitter in the mammalian nervous system. GluR5 kainate receptor has been shown to be associated with pain transmission. An inhibitor would have potential for pain relief with fewer side-effects.

Job times for this query took longer than typical jobs giving slightly above average numbers of hits.

P Naur et al FEBS Lett (2005) 579.5 p1154-60

Arthritis - 1FX9-Q1 - Phospholipase A2 (PLA2)

Proteome
1FX9-Q1
Phospholipase A2 ( PLA2 )

Phospholipase A2 (PLA2) cleaves ester bond in glycerophospholipids releasing free fatty acids and lysophospholipids. Excessive levels of human nonpancreatic PLA2 has been associated with a number of disease states including arthritis, septic shock and atherosclerosis. Inhibition of PLA2 may have therapeutic potential in the treatment of arthritis.

Job times for this query took longer than typical jobs giving above average numbers of hits.

J S Sawyer et al J Med Chem (2005) 48.3 p893-6

Tuberculosis - 1NBU-Q1 - 7,8-Dihydroneopterin Aldolase

Respiratory Disease
1NBU-Q1
7,8-Dihydroneopterin Aldolase

7,8-Dihydroneopterin Aldolase (DHNA) has no human equivalent but is an essential enzyme in bacteria including Mycobacterium Tuberculosis, playing a critical role in folate synthesis. This is a novel antibacterial target which is interesting because bacteria in contrast to humans (and other mammals) cannot absorb folate from their environment. Without folate bacteria cannot grow!

This query gives above average number of hits and longer than typical job times.


W J Sanders et al J Med Chem (2004) 47.7 p1709-18

Methodology - 1E7A-Q1 - Serum Albumin

Methodology
1E7A-Q1
Serum Albumin

Serum albumin is an important transport protein in the blood playing a key role in the transport of fatty acids, metabolites, and some drugs. However, one might expect undesirable side-effects from molecules which bind strongly. In addition, such molecules are likely to show exceptional pharmacokinetics with abnormally long retention times in the body.

This query gives very few hits and longer than typical job times.


A A Bhattacharya et al J Biol Chem (2000) 275.49 p38731-8

Glucoma - 1AM6-Q2 - Carbonic Anhydrase

Proteome
1AM6-Q2
Carbonic anhydrase

Carbonic anhydrase is a recognised target for drugs which reduce optic hypertension. High pressure in the eye has been associated with glucoma which causes blindness over time if not treated. The incidence of glucoma is increasing especially among younger people who use computers which has raised concerns about the effectiveness and side-effects of current drugs taken over longer periods of time.

The test jobs times usually took longer than average giving more hits


L R Scolnick et al J Am Chem Soc (1997) 119 p850




Note the bold, I think we all should be crunching this on ;-)

Cancer - 4ERK-Q1 - Mitogen Activated Protein (MAP) Kinase

Cancer
4ERK-Q1
Mitogen Activated Protein (MAP) Kinase

Mitogen Activated Protein (MAP) Kinases are signaling proteins that participate in diverse cellular events and are potential targets for intervention in inflammation, cancer, and other diseases. The MAP kinase this query is based on is known as ERK2 (extracellular-signal-regulated kinase 2) and plays a role in cellular differentiation or proliferation. This query is based on a different crystal structure to 3erk-q1.

For this query the times taken by test jobs were below average giving typical numbers of hits.

Z Wang et al Structure (1998) 6.9 p1117-28

HIV - 1C70-Q1 has an extended molecule range

HIV Query 1C70-Q1 has been extended into a larger molecule set.


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

Alzheimer's - 1PBQ-Q1 - N-Methyl-D-Aspartate (NMDA) receptor

Proteome
1PBQ-Q1
N-Methyl-D-Aspartate ( NMDA ) receptor

N-Methyl-D-Aspartate (NMDA) antagonists are recognised as potentially useful as a therapy for Alzheimer's Disease - see DDT (2005) 10.11 p 750. Over stimulation of this receptor appears to be related to neurodegeneration and blocking it has some therpeutic benefits. This approach is rather different from many of the other Alzheimer's Disease drugs which are being developed.

The test jobs times usually took longer than average and giving more hits.


H Furukawa and E Gouaux EMBO J (2003) 22.12 p2873-85

45 Queries Closing to Results

45 Queries will close on the 10th of September to new results.

So if your currently crunching one, get it finished and send it in.
Remove any others you have left in the queue (the purge feature should remove them when you recieve a new job, if you have this option enabled)

These are the jobs closing,
1hyv-q5 1lqs-q2 1kgt-q2 1irj-q2 1hzj-q1
1c4z-q1 1w7h-q1 1r55-q1 1b4d-q1 1dnw-q1
1ls5-q1 1t15-q1 1m17-q3 1svc-q1 1c8l-q3
1t29-q2 1pkq-q1 1i71-q1 1pkq-q3 1r0x-q1
4prg-q1 1biu-q1 1lqf-q1 1pkq-q4 1h4w-q1
1mf7-q2 1xs7-q1 2gpa-q1 1bzy-q1 1mf7-q1
1a8i-q1 1mf7-q3 1xbb-q1 1u7t-q1 1q2u-q1
1npv-q1 1xkk-q1 1b70-q1 1xbc-q1 1kgq-q2
1u59-q1 1qtn-q1 1tqf-q1 1ek6-q1 1ry7-q2

Prostate Cancer - 1GS4-Q1 has an Extended Molecule range

1GS4-Q1 Prostate Cancer Query has had its molecule range extended, that generally 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 how long it will take to complete a job by looking at the below information

Cancer - 3ERK-Q1 - Mitogen Activated Protein (MAP) Kinase

Cancer
3ERK-Q1
Mitogen Activated Protein (MAP) Kinase

Mitogen Activated Protein (MAP) Kinases are signaling proteins that participate in diverse cellular events and are potential targets for intervention in inflammation, cancer, and other diseases. The MAP kinase this query is based on is known as ERK2 (extracellular-signal-regulated kinase 2) and plays a role in cellular differentiation or proliferation.

For this query the times taken by test jobs were longer than usual giving more hits.

Z Wang et al Structure (1998) 6.9 p1117-28

Antibacterial - 1YBG-Q1 - Udp-N-Acetylglucosamine 1-Carboxyvinyl Transferase (Mura)

Proteome
1YBG-Q1
Udp-N-Acetylglucosamine 1-Carboxyvinyl Transferase ( Mura )

Udp-N-Acetylglucosamine 1-Carboxyvinyl 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.

On average test jobs completed faster than usual giving fewer hits.


S Eschenburg et al J Biol Chem (2005) 280.14 p14070-5

Cancer - 1EVT-Q1 - Fibroblast Growth Factor receptor-1

Cancer
1EVT-Q1
Fibroblast Growth Factor receptor-1

Fibroblast growth factor receptor-1 (FGFr-1) 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 fewer hits than usual.

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

Antibacterial - 2MBR-Q1 - Uridine Diphospho-N-Acetylenolpyruvylglucosamine Reductase (MurB)

Proteome
2MBR-Q1
Uridine Diphospho-N-Acetylenolpyruvylglucosamine Reductase ( MurB )

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

HIV - 1NPW-Q3 - HIV Protease

HIV
1NPW-Q3
HIV Protease

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 above normal numbers of hits and average job times on a typical PC.

A B Smith III, J Med Chem (2003) 46.10 p1831-44

Primary Stats Server suspended to do possible abuse

stats.findadrug.org.uk is currently suspended due to suspected abuse.


Find-a-Drug hope to have the site back online within 24 hours with a few additional checks in place ...

Any-one found to be deliberately abusing any server will be banded from the project. Abuse in these circumstances is deliberately and repeatedly using excessive resources including causing the server software to fail.

In the mean time the stats can be found on the secondary server http://stats.find-a-drug.biz Thank you for your patience and understanding.


Note that the .biz server seem to be faster than the .org.uk under normal use.