[FaD] Two New Queries

[BitSpit]

We've got two new queries to crunch.

Query: 1G6H-Q1
Project: Cancer
Target: BRAF: ADP-Binding transport protein

Description:
ADP and ATP transport play a critical role in cell biochemistry. Professor Paul Workman (Director of Cancer Research UK) recently commented that BRAF was was an exciting target for which it may be possible to design selective inhibitors for very specific cancers such as melanomas because mutant forms of BRAF occur (see DDT 2003, Vol 8.17 p775-777).

Query: 1N6B-Q1
Project: Methodology
Target: Cytochrome P450 (2C5)

Description:
The small family of cytochrome P450s play an essential role in the metabolism of certain drug molecules by converting them to more soluble analogues enabling them to be excreted. In general, drugs that a rapidly metabolised and excreted need to be used in higher doses while molecules than inhibit P450s may cause side-effects or unexpected complications when used with other drug molecules.

We plan to process a series of P450s as their crystal structure become available. Initially we checking for strong inhibitors but with THINK v1.22 we will also be able to predict whether a molecule is likely to be metabolised by P450.