Applying thermodynamic profiling in lead finding and optimization
Author:
Publisher
Springer Science and Business Media LLC
Subject
Drug Discovery,Pharmacology,General Medicine
Link
http://www.nature.com/articles/nrd4486.pdf
Reference84 articles.
1. Wermuth, C. G. in The Practice of Medicinal Chemistry Ch. 18 (Elsevier, 2003).
2. Blundell, T. L., Jhoti, H. & Abell, C. High-throughput crystallography for lead discovery in drug design. Nature Rev. Drug. Discov. 2, 45–53 (2002).
3. de Kloe, G. E., Bailey, D., Leurs, R. & de Esch, I. J. Transforming fragments into candidates: small becomes big in medicinal chemistry. Drug Discov. Today 14, 630–646 (2009).
4. Ajay & Murcko, M. A. Computational methods to predict binding free energy in ligand-receptor complexes. J. Med. Chem. 38, 4953–4967 (1995).
5. Cheng, Y.-C. & Prusoff, W. H. Relationship between the inhibition constant (Ki) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction. Biochem. Pharmacol. 22, 3099–3108 (1973).
Cited by 249 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Structural Perspectives on Metal Dependent Roles of Ferric Uptake Regulator (Fur);Biomolecules;2024-08-09
2. Native mass spectrometry and structural studies reveal modulation of MsbA–nucleotide interactions by lipids;Nature Communications;2024-07-15
3. Ligand Gaussian Accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides;Journal of Chemical Theory and Computation;2024-07-13
4. From X-ray crystallographic structure to intrinsic thermodynamics of protein–ligand binding using carbonic anhydrase isozymes as a model system;IUCrJ;2024-06-10
5. An Integrated Machine Learning Approach Delineates Entropy-mediated Conformational Modulation of α-synuclein by Small Molecule;2024-06-03
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3