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Recent developments in fragment-based drug discovery.

作者信息

Congreve Miles, Chessari Gianni, Tisi Dominic, Woodhead Andrew J

机构信息

Astex Therapeutics Ltd., 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, UK.

出版信息

J Med Chem. 2008 Jul 10;51(13):3661-80. doi: 10.1021/jm8000373. Epub 2008 May 6.

DOI:10.1021/jm8000373

PMID:18457385

Abstract

摘要

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Recent developments in fragment-based drug discovery.

作者信息

Congreve Miles, Chessari Gianni, Tisi Dominic, Woodhead Andrew J

机构信息

Astex Therapeutics Ltd., 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, UK.

出版信息

J Med Chem. 2008 Jul 10;51(13):3661-80. doi: 10.1021/jm8000373. Epub 2008 May 6.

DOI:10.1021/jm8000373

PMID:18457385

Abstract

摘要

相似文献

Recent developments in fragment-based drug discovery.

J Med Chem. 2008 Jul 10;51(13):3661-80. doi: 10.1021/jm8000373. Epub 2008 May 6.

Structural genomics and drug discovery: all in the family.

Curr Opin Chem Biol. 2008 Feb;12(1):32-9. doi: 10.1016/j.cbpa.2008.01.045. Epub 2008 Mar 7.

Screening for transient biological interactions as applied to albumin ligands: a new concept for drug discovery.

Anal Biochem. 2006 Dec 1;359(1):120-3. doi: 10.1016/j.ab.2006.09.007. Epub 2006 Oct 4.

Using NMR for ligand discovery and optimization.

Curr Opin Chem Biol. 2004 Aug;8(4):387-91. doi: 10.1016/j.cbpa.2004.05.002.

Fragment-based screening using X-ray crystallography and NMR spectroscopy.

Curr Opin Chem Biol. 2007 Oct;11(5):485-93. doi: 10.1016/j.cbpa.2007.07.010. Epub 2007 Sep 11.

Systems biology and systems chemistry: new directions for drug discovery.

Chem Biol. 2012 Jan 27;19(1):23-8. doi: 10.1016/j.chembiol.2011.12.012.

The modular approach to ligand discovery.

Chem Biol. 2004 Mar;11(3):292-3. doi: 10.1016/j.chembiol.2004.03.002.

Redefining priorities in gene-based drug discovery.

Nat Biotechnol. 2001 Aug;19(8):707. doi: 10.1038/90733.

Virtual Discovery Europe--Select Biosciences Conference. Computer-aided drug design and screening.

IDrugs. 2007 Dec;10(12):869-73.

Fragment-based ligand discovery.

Mol Interv. 2009 Feb;9(1):22-30. doi: 10.1124/mi.9.1.7.

引用本文的文献

Modular Synthetic Platform for the Elaboration of Fragments in Three Dimensions for Fragment-Based Drug Discovery.

J Am Chem Soc. 2025 Jul 30. doi: 10.1021/jacs.5c08786.

Exploring chemical space for "druglike" small molecules in the age of AI.

Front Mol Biosci. 2025 Mar 17;12:1553667. doi: 10.3389/fmolb.2025.1553667. eCollection 2025.

Quick-and-Easy Validation of Protein-Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry.

J Chem Inf Model. 2025 Jan 27;65(2):937-949. doi: 10.1021/acs.jcim.4c01987. Epub 2025 Jan 3.

Convergent Protocols for Computing Protein-Ligand Interaction Energies Using Fragment-Based Quantum Chemistry.

J Chem Theory Comput. 2025 Jan 28;21(2):951-966. doi: 10.1021/acs.jctc.4c01429. Epub 2025 Jan 2.

Automated identification of small molecules in cryo-electron microscopy data with density- and energy-guided evaluation.

bioRxiv. 2024 Nov 20:2024.11.20.623795. doi: 10.1101/2024.11.20.623795.

Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-Hotspots.

J Chem Inf Model. 2024 Oct 14;64(19):7743-7757. doi: 10.1021/acs.jcim.4c01189. Epub 2024 Sep 16.

Fragment-based Drug Discovery Strategy and its Application to the Design of SARS-CoV-2 Main Protease Inhibitor.

Curr Med Chem. 2024;31(38):6204-6226. doi: 10.2174/0109298673294251240229070740.

Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.

ACS Med Chem Lett. 2024 Feb 7;15(3):381-387. doi: 10.1021/acsmedchemlett.3c00543. eCollection 2024 Mar 14.

Discovery of Malarial Threonyl tRNA Synthetase Inhibitors by Screening of a Focused Fragment Library.

ACS Med Chem Lett. 2023 Dec 14;15(1):76-80. doi: 10.1021/acsmedchemlett.3c00403. eCollection 2024 Jan 11.

Molecular Dynamics Simulation Study of the Selective Inhibition of Coagulation Factor IXa over Factor Xa.

Molecules. 2023 Oct 2;28(19):6909. doi: 10.3390/molecules28196909.