Literature DB >> 15993809

Structural biology and drug discovery.

Miles Congreve1, Christopher W Murray, Tom L Blundell.   

Abstract

It has long been recognized that knowledge of the 3D structures of proteins has the potential to accelerate drug discovery, but recent developments in genome sequencing, robotics and bioinformatics have radically transformed the opportunities. Many new protein targets have been identified from genome analyses and studied by X-ray analysis or NMR spectroscopy. Structural biology has been instrumental in directing not only lead optimization and target identification, where it has well-established roles, but also lead discovery, now that high-throughput methods of structure determination can provide powerful approaches to screening.

Mesh:

Year:  2005        PMID: 15993809     DOI: 10.1016/S1359-6446(05)03484-7

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  63 in total

Review 1.  Challenges for and current status of research into positive modulators of AMPA receptors.

Authors:  Simon E Ward; Benjamin D Bax; Mark Harries
Journal:  Br J Pharmacol       Date:  2010-05       Impact factor: 8.739

2.  The flow synthesis of heterocycles for natural product and medicinal chemistry applications.

Authors:  Marcus Baumann; Ian R Baxendale; Steven V Ley
Journal:  Mol Divers       Date:  2010-10-20       Impact factor: 2.943

3.  A comparative study of available software for high-accuracy homology modeling: from sequence alignments to structural models.

Authors:  Akbar Nayeem; Doree Sitkoff; Stanley Krystek
Journal:  Protein Sci       Date:  2006-04       Impact factor: 6.725

4.  Development and validation of a modular, extensible docking program: DOCK 5.

Authors:  Demetri T Moustakas; P Therese Lang; Scott Pegg; Eric Pettersen; Irwin D Kuntz; Natasja Brooijmans; Robert C Rizzo
Journal:  J Comput Aided Mol Des       Date:  2006-12-06       Impact factor: 3.686

Review 5.  Evaluation of machine-learning methods for ligand-based virtual screening.

Authors:  Beining Chen; Robert F Harrison; George Papadatos; Peter Willett; David J Wood; Xiao Qing Lewell; Paulette Greenidge; Nikolaus Stiefl
Journal:  J Comput Aided Mol Des       Date:  2007-01-05       Impact factor: 3.686

Review 6.  Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach.

Authors:  I M Kapetanovic
Journal:  Chem Biol Interact       Date:  2006-12-16       Impact factor: 5.192

Review 7.  Automated robotic harvesting of protein crystals-addressing a critical bottleneck or instrumentation overkill?

Authors:  Robert Viola; Peter Carman; Jace Walsh; Daniel Frankel; Bernhard Rupp
Journal:  J Struct Funct Genomics       Date:  2007-10-27

8.  Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble.

Authors:  Edon Sung; Sangsoo Kim; Whanchul Shin
Journal:  BMC Bioinformatics       Date:  2010-05-18       Impact factor: 3.169

9.  Recipes for the selection of experimental protein conformations for virtual screening.

Authors:  Manuel Rueda; Giovanni Bottegoni; Ruben Abagyan
Journal:  J Chem Inf Model       Date:  2010-01       Impact factor: 4.956

10.  A low-molecular-weight antagonist for the human thyrotropin receptor with therapeutic potential for hyperthyroidism.

Authors:  Susanne Neumann; Gunnar Kleinau; Stefano Costanzi; Susanna Moore; Jian-kang Jiang; Bruce M Raaka; Craig J Thomas; Gerd Krause; Marvin C Gershengorn
Journal:  Endocrinology       Date:  2008-07-31       Impact factor: 4.736

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