Suppr超能文献

Target flexibility: an emerging consideration in drug discovery and design.

作者信息

Cozzini Pietro, Kellogg Glen E, Spyrakis Francesca, Abraham Donald J, Costantino Gabriele, Emerson Andrew, Fanelli Francesca, Gohlke Holger, Kuhn Leslie A, Morris Garrett M, Orozco Modesto, Pertinhez Thelma A, Rizzi Menico, Sotriffer Christoph A

机构信息

Department of General and Inorganic Chemistry, University of Parma, Via G.P. Usberti 17/A 43100, Parma,

出版信息

J Med Chem. 2008 Oct 23;51(20):6237-55. doi: 10.1021/jm800562d. Epub 2008 Sep 12.

Abstract
摘要

相似文献

1
Target flexibility: an emerging consideration in drug discovery and design.
J Med Chem. 2008 Oct 23;51(20):6237-55. doi: 10.1021/jm800562d. Epub 2008 Sep 12.
2
New roles for structure in biology and drug discovery.
Nat Struct Biol. 2000 Nov;7 Suppl:928-30. doi: 10.1038/80691.
3
Automation of biomolecular NMR screening.
Curr Top Med Chem. 2003;3(1):55-67. doi: 10.2174/1568026033392688.
4
ID NMR Methods in ligand-receptor interactions.
Curr Top Med Chem. 2003;3(1):25-37. doi: 10.2174/1568026033392750.
5
Second-site NMR screening and linker design.
Curr Top Med Chem. 2003;3(1):69-80. doi: 10.2174/1568026033392778.
6
Fragonomics: fragment-based drug discovery.
Curr Opin Chem Biol. 2005 Aug;9(4):366-70. doi: 10.1016/j.cbpa.2005.05.002.
7
Structure-based screening and design in drug discovery.
Drug Discov Today. 2002 Apr 15;7(8):471-8. doi: 10.1016/s1359-6446(02)02233-x.
8
Application of NMR screening in drug discovery.
Curr Top Med Chem. 2003;3(1):81-97. doi: 10.2174/1568026033392796.
9
An accurate pharmacophore mapping method by NMR spectroscopy.
Angew Chem Int Ed Engl. 2012 Feb 6;51(6):1362-5. doi: 10.1002/anie.201104905. Epub 2011 Dec 30.

引用本文的文献

1
High-speed atomic force microscopy and 3D modeling reveal the structural dynamics of ADAR1 complexes.
Nat Commun. 2025 May 26;16(1):4757. doi: 10.1038/s41467-025-59987-6.
2
The evolution and application of RNA-focused small molecule libraries.
RSC Chem Biol. 2025 Feb 13;6(4):510-527. doi: 10.1039/d4cb00272e. eCollection 2025 Apr 2.
3
Mining Druggable Sites in Influenza A Hemagglutinin: Binding of the Pinanamine-Based Inhibitor M090.
ACS Med Chem Lett. 2024 Nov 28;16(1):126-135. doi: 10.1021/acsmedchemlett.4c00502. eCollection 2025 Jan 9.
4
New insights into protein-protein interaction modulators in drug discovery and therapeutic advance.
Signal Transduct Target Ther. 2024 Dec 6;9(1):341. doi: 10.1038/s41392-024-02036-3.
5
Assessment of Four Theoretical Approaches to Predict Protein Flexibility in the Crystal Phase and Solution.
J Chem Theory Comput. 2024 Sep 10;20(17):7667-7681. doi: 10.1021/acs.jctc.4c00754. Epub 2024 Aug 22.
6
Unsupervised deep learning for molecular dynamics simulations: a novel analysis of protein-ligand interactions in SARS-CoV-2 M.
RSC Adv. 2023 Nov 22;13(48):34249-34261. doi: 10.1039/d3ra06375e. eCollection 2023 Nov 16.
7
Targeted Protein Degradation: Advances, Challenges, and Prospects for Computational Methods.
J Chem Inf Model. 2023 Sep 11;63(17):5408-5432. doi: 10.1021/acs.jcim.3c00603. Epub 2023 Aug 21.
8
HINT, a code for understanding the interaction between biomolecules: a tribute to Donald J. Abraham.
Front Mol Biosci. 2023 Jun 7;10:1194962. doi: 10.3389/fmolb.2023.1194962. eCollection 2023.
9
A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions.
Molecules. 2023 Mar 31;28(7):3124. doi: 10.3390/molecules28073124.
10
Structure of a 28.5 kDa duplex-embedded G-quadruplex system resolved to 7.4 Å resolution with cryo-EM.
Nucleic Acids Res. 2023 Feb 28;51(4):1943-1959. doi: 10.1093/nar/gkad014.

本文引用的文献

1
Scoring functions for protein-ligand interactions: a critical perspective.
Drug Discov Today Technol. 2004 Dec;1(3):231-9. doi: 10.1016/j.ddtec.2004.08.004.
2
Incorporating protein flexibility into docking and structure-based drug design.
Expert Opin Drug Discov. 2006 Sep;1(4):335-49. doi: 10.1517/17460441.1.4.335.
4
Refinement and reliability of macromolecular models based on X-ray diffraction data.
Methods Enzymol. 1997;277:353-66. doi: 10.1016/s0076-6879(97)77020-4.
5
Determination of protein-ligand binding modes using complexation-induced changes in (1)h NMR chemical shift.
J Med Chem. 2008 Apr 24;51(8):2512-7. doi: 10.1021/jm701194r. Epub 2008 Mar 27.
6
Mechanisms of inter- and intramolecular communication in GPCRs and G proteins.
J Am Chem Soc. 2008 Apr 2;130(13):4310-25. doi: 10.1021/ja077268b. Epub 2008 Mar 12.
7
8
Flexible ligand docking to multiple receptor conformations: a practical alternative.
Curr Opin Struct Biol. 2008 Apr;18(2):178-84. doi: 10.1016/j.sbi.2008.01.004. Epub 2008 Feb 25.
9
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).
J Comput Aided Mol Des. 2008 May;22(5):311-25. doi: 10.1007/s10822-008-9188-5. Epub 2008 Feb 14.
10
Improving database enrichment through ensemble docking.
J Comput Aided Mol Des. 2008 Sep;22(9):621-7. doi: 10.1007/s10822-008-9182-y. Epub 2008 Feb 6.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验