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Design of targeted libraries against the human Chk1 kinase using PGVL Hub.
- Source :
-
Methods in molecular biology (Clifton, N.J.) [Methods Mol Biol] 2011; Vol. 685, pp. 321-36. - Publication Year :
- 2011
-
Abstract
- PGVL Hub is a Pfizer internal desktop tool for chemical library and singleton design. In this chapter, we give a short introduction to PGVL Hub, the core workflow it supports, and the rich design capabilities it provides. By re-creating two legacy targeted libraries against the human checkpoint kinase 1 (Chk1) as a showcase, we illustrate how PGVL Hub could be used to help library designers carry out the steps in library design and realize design objectives such as SAR expansion and improvement in both kinase selectivity and compound aqueous solubility. Finally we share several tips about library design and usage of PGVL Hub.
- Subjects :
- Checkpoint Kinase 1
Humans
Models, Molecular
Protein Kinase Inhibitors chemistry
Protein Kinase Inhibitors metabolism
Protein Kinase Inhibitors pharmacology
Protein Kinases chemistry
Protein Structure, Tertiary
Small Molecule Libraries chemistry
Small Molecule Libraries metabolism
Structure-Activity Relationship
Drug Industry
Protein Kinases metabolism
Small Molecule Libraries pharmacology
User-Computer Interface
Subjects
Details
- Language :
- English
- ISSN :
- 1940-6029
- Volume :
- 685
- Database :
- MEDLINE
- Journal :
- Methods in molecular biology (Clifton, N.J.)
- Publication Type :
- Academic Journal
- Accession number :
- 20981531
- Full Text :
- https://doi.org/10.1007/978-1-60761-931-4_16