Search

Your search keyword '"Golfis, Georgia"' showing total 2 results
Start Over Author "Golfis, Georgia" Journal journal of medicinal chemistry
2 results on '"Golfis, Georgia"'

2. Integration of Ligand and Structure-Based Virtual Screening for the Identification of the First Dual Targeting Agent for Heat Shock Protein 90 (Hsp90) and Tubulin

Author

Darren Fayne, David Lloyd, Trevor T. Price, Michał Pawlak, Mary J. Meegan, D. Clive Williams, Georgia Golfis, Andrew J. S. Knox, Christopher T. Flood, Knox, Andrew JS, Price, Trevor, Pawlak, Michal, Golfis, Georgia, Flood, Christopher T, Fayne, Darren, Williams, D Clive, Meegan, Mary J, and Lloyd, David G

Subjects
Models, Molecular, Scaffold, Indazoles, Databases, Factual, drug design, Stereochemistry, Quantitative Structure-Activity Relationship, drug protein binding, Antineoplastic Agents, Ligands, Tubulin binding, chemistry.chemical_compound, Adenosine Triphosphate, Biopolymers, Tubulin, Cell Line, Tumor, Heat shock protein, binding affinity, Drug Discovery, Humans, drug screening, HSP90 Heat-Shock Proteins, binding assay, Principal Component Analysis, Indazole, Virtual screening, Binding Sites, biology, binding site, human cell, drug identification, Estrogen Receptor alpha, Imidazoles, drug targeting, Ligand (biochemistry), Tubulin Modulators, drug structure, chemistry, Chaperone (protein), biology.protein, Molecular Medicine, Colchicine, Protein Binding
Abstract

We describe the discovery of a novel indazole-based scaffold that represents the "first-in-class" dual Hsp90/tubulin binding compound. Individual known ligands for both targets shared similar 3',4',5'- trimethoxyphenyl cores, and from this it was hypothesized that application of an integrated ligand and structure-based virtual screening (VS) workflow could yield a single scaffold with dual binding affinity. Following validation of the VS protocol, we successfully identified a novel dual inhibitor, sourced from a commercial screening collection of 160 000 compounds. Refereed/Peer-reviewed

Published
2009
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results