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Combining Structure-based Drug Design and Pharmacophores by Renate Griffith; Tien T.T. Luu; James Garner; Paul A. Keller is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

What is Combining Structure-based Drug Design and Pharmacophores about?

Development towards integrated computer-aided drug design methodologies is presented by utilising crystal structure complexes to produce structure-based pharmacophores. These novel pharmacophores represent the ligand features that are involved in interactions with the target protein, as well as the space around the ligand occupied by the protein. The protein-ligand complexes can also yield information about all interactions that ligands could potentially form with the binding site, as well as about the size of the binding cavity. Together, these describe a 'superligand', which can also be viewed as a pharmacophore. Various types of novel pharmacophores are discussed and compared, using HIV-1 reverse transcriptase (RT) as the target protein, and their application in database searching is presented.

Who reads Combining Structure-based Drug Design and Pharmacophores?

Author

Renate Griffith; Tien T.T. Luu; James Garner; Paul A. Keller

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 1093-3263)

Published

2005

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Physical Sciences)