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PubMed2001

Making IT better.

The body of the healthcare sector is today supported by a nervous system of advanced technology infrastructure that has become vital to its efficient operation. The sharing of information between hospitals, clinics, surgeries and administrative units has become a key part of the everyday activities of the sector, streamlining processes and giving healthcare professionals access to stored knowledge that would otherwise be unavailable. Supporting this 'nervous system' are the companies that supply and maintain the networks and technology on which the sector now relies.

Information Management↗

PubMed2000

A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions.

A ligand-based model is reported that predicts the Ki values for cytochrome P450 2C9 (CYP2C9) inhibitors. This CoMFA model was used to predict the affinity of 14 structurally diverse compounds not in the training set and appears to be robust. The mean error of the predictions is 6 microM. The experimentally measured Ki values of the 14 compounds range from 0.1 to 48 microM. Leave-one-out cross-validated partial least-squares gives a q2 value of between 0.6 and 0.8 for the various models which indicates internal consistency. Random assignment of biological data to structure leads to negative q2 values. These models are useful in that they establish a pharmacophore for binding to CYP2C9 that can be tested with site-directed mutagenesis. These models can also be used to screen for potential drug interactions and to design compounds that will not bind to this enzyme with high affinity.

Aryl Hydrocarbon Hydroxylases↗