Last edited by Meztigis
Monday, August 3, 2020 | History

6 edition of Fragment-based drug discovery and X-ray crystallography found in the catalog.

Fragment-based drug discovery and X-ray crystallography

by Thomas G. Davies

  • 238 Want to read
  • 9 Currently reading

Published by Springer in Heidelberg, New York .
Written in English

    Subjects:
  • Arzneimittelentwicklung,
  • Drug development,
  • Drug Discovery,
  • Röntgenstrukturanalyse,
  • Crystallography, X-Ray,
  • Drug Design

  • Edition Notes

    Includes bibliographical references and index.

    Statementvolume editors, Thomas G. Davies, Marko Hyvönen
    SeriesTopics in current chemistry -- 317, Topics in current chemistry -- 317.
    Classifications
    LC ClassificationsRM301.25 .F735 2012
    The Physical Object
    Paginationxi, 225 p. :
    Number of Pages225
    ID Numbers
    Open LibraryOL25355319M
    ISBN 103642275397, 3642275400
    ISBN 109783642275395, 9783642275401
    LC Control Number2011945781
    OCLC/WorldCa767567954

    Fragment-Based Drug Discovery and X-Ray Crystallography. by. Topics in Current Chemistry (Book ) Share your thoughts Complete your review. Tell readers what you thought by rating and reviewing this book. Rate it * You Rated it *Brand: Springer Berlin Heidelberg. Fragment screening offers an alternative to traditional screening for discovering new leads in drug discovery programs. This paper describes a fragment screening methodology based on high throughput X-ray crystallography. The method is illustrated against five proteins (p38 MAP kinase, CDK2, thrombin, ribonuclease A, and PTP1B).

    Introduction to fragment-based drug discovery - Fragment screening using x-ray crystallography ; Hsp90 inhibitors and drugs from fragment and virtual screening ; Combining NMR and x-ray crystallography in fragment-based drug discovery: discovery of highly potent and selective BACE-1 .   Wyss DF, Wang Y-S, Eaton HL, Strickland C, Voigt JH, Zhu Z, Stamford AW () Combining NMR and X-ray crystallography in fragment-based drug discovery: discovery of highly potent and selective BACE-1 inhibitors. Top Curr Chem. doi/_ Google Scholar.

    Fragment-based lead discovery (FBLD) also known as fragment-based drug discovery (FBDD) is a method used for finding lead compounds as part of the drug discovery process. Fragments are small organic molecules which are small in size and low in molecular weight. It is based on identifying small chemical fragments, which may bind only weakly to the biological target, and then growing them or. The RAS family of proteins is implicated in roughly one third of cancers, and as such has been a long-standing target for drug discovery. Ea.


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Fragment-based drug discovery and X-ray crystallography by Thomas G. Davies Download PDF EPUB FB2

D. Erlanson Introduction to Fragment-Based Drug Discovery T. Davies Ian J. Tickle Fragment Screening Using X-Ray Crystallography S.

Roughley L. Wright P. Brough A. Massey R. Hubbard Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening D. Wyss Y.-S. Wang H. Eaton C. Strickland J.s H. Voigt Z. Zhu A. Stamford Combining NMR and X-ray Crystallography in Fragment-Based 5/5(1).

Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W.

Stamford. Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J.

TickleHsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Pages:   Buy Fragment-Based Drug Discovery and X-Ray Crystallography: (Topics in Current Chemistry) by Davies, Thomas G., Hyvonen, Marko, Arnold, E.

(ISBN: ) from Amazon's Book Store. Everyday low prices and free delivery on eligible : Hardcover. X-ray crystallography is a tool used for determining the atomic and molecular structure of a crystal.

The underlying principle is that the crystalline atoms cause a beam of X-rays to diffract into many specific directions (Fig. ).By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a 3D picture of the density of electrons within the crystal.

As fragment-based drug discovery emerged in the recent years, X-ray crystallography has also become a powerful screening technology, able to provide structural information on complexes involving low-molecular weight compounds, despite weak binding affinities.

An early example of X-ray crystallography-driven screening applied to the discovery of urokinase inhibitors by fragment optimization. CAS Article Google Scholar. Herein, we describe a fragment- based drug discovery (FBDD) approach for the investigation of small molecule binding sites in SOD1.

X-ray crystallography has been used as the primary screening method and has been shown to directly detect protein-ligand interactions which cannot be unambiguously identified using other biophysical methods.

This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments. Fragment-Based Drug Discovery and X-Ray Crystallography Methods in Enzymology: Fragment-Based Drug Design book review (4) book reviews (1) BRD4 (1) brominated fragments (1) bromodomains (23).

Fragment-based screens test multiple low–molecular weight molecules for binding to a target1,2,3,4. Fragments often bind with low affinities but typically have better ligand efficiencies.

Download Fragment Based Drug Discovery And X Ray Crystallography books, Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew.

Cooper DR, Porebski PJ, Chruszcz M, Minor W. X-ray crystallography: assessment and validation of protein-small molecule complexes for drug discovery. Expert Opin Drug Discov. ; 6 (8)– • An overview of recent approaches for validation of results obtained by X-ray crystallography as used in drug discovery.

Joseph D. Bauman, Disha Patel, Eddy Arnold, Adventures in Small Molecule Fragment Screening by X-ray Crystallography, Multifaceted Roles of Crystallography in Modern Drug Discovery, /_15, (), ().

Fragment-Based Drug Discovery and X-Ray Crystallography. por. Topics in Current Chemistry (Book ) Comparte tus pensamientos Completa tu reseña. Cuéntales a los lectores qué opinas al calificar y reseñar este libro.

Califícalo * Lo calificaste *Brand: Springer Berlin Heidelberg. Molecules, an international, peer-reviewed Open Access journal. Fragment-Based Drug Discovery and X-Ray Crystallography Springer-Verlag Berlin Heidelberg Daniel A.

Erlanson (auth.), Thomas G. Davies, Marko Hyvönen (eds.). Astex has a strong culture of developing bespoke software to support our fragment-based drug discovery platform and in particular our high throughput X-ray crystallography pipeline. As part of Astex’s ongoing commitment to extending its existing computational crystallography infrastructure, the Molecular Sciences Group has an opportunity for.

Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E.

Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Brand: Thomas G Davies; Marko Hyvonen. Fragment-based drug discovery typically requires an interplay between screening methods, structural methods, and medicinal chemistry.

X-ray crystallography is generally the method of choice to obtain three-dimensional structures of the bound ligand/protein complex, but this can sometimes be difficult, particularly for early, low-affinity.

|a Introduction to fragment-based drug discovery - Fragment screening using x-ray crystallography -- Hsp90 inhibitors and drugs from fragment and virtual screening -- Combining NMR and x-ray crystallography in fragment-based drug discovery: discovery of highly potent and selective BACE-1 inhibitors -- Combining biophysical screening and x-ray.

The fragment-based approach is now well established as an important component of modern drug discovery. A key part in establishing its position as a viable technique has been the development of a range of biophysical methodologies with sufficient sensitivity to detect the binding of very weakly binding molecules.

X-ray crystallography was one of the first techniques demonstrated to be capable.It is over 20 years since the first fragment-based discovery projects were disclosed. The methods are now mature for most ‘conventional’ targets in drug discovery such as enzymes (kinases and proteases) but there has also been growing success on more challenging targets, such as disruption of protein–protein interactions.

The main application is to identify tractable chemical startpoints.Structure-based drug discovery is a collection of methods that exploits the ability to determine and analyse the three dimensional structure of biological molecules.

These methods have been adopted and enhanced to improve the speed and quality of discovery of new drug candidates. After an introductory overview of the principles and application of structure-based methods in drug discovery, this.