标题
A look at ligand binding thermodynamics in drug discovery
作者
关键词
-
出版物
Expert Opinion on Drug Discovery
Volume 12, Issue 4, Pages 363-377
出版商
Informa UK Limited
发表日期
2017-02-20
DOI
10.1080/17460441.2017.1297418
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Enthalpy screen of drug candidates
- (2016) Arne Schön et al. ANALYTICAL BIOCHEMISTRY
- Intrinsic thermodynamics of inhibitor binding to human carbonic anhydrase IX
- (2016) Vaida Linkuvienė et al. BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
- On the link between conformational changes, ligand binding and heat capacity
- (2016) S. Vega et al. BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
- Biophysics in drug discovery: impact, challenges and opportunities
- (2016) Jean-Paul Renaud et al. NATURE REVIEWS DRUG DISCOVERY
- Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-tumoral Drug PALA
- (2016) Alba Ruiz-Ramos et al. STRUCTURE
- Is there a link between selectivity and binding thermodynamics profiles?
- (2015) Ákos Tarcsay et al. DRUG DISCOVERY TODAY
- Ligand Binding Thermodynamics in Drug Discovery: Still a Hot Tip?
- (2015) Stefan Geschwindner et al. JOURNAL OF MEDICINAL CHEMISTRY
- Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma
- (2015) Irina Iakovleva et al. JOURNAL OF MEDICINAL CHEMISTRY
- A unified framework based on the binding polynomial for characterizing biological systems by isothermal titration calorimetry
- (2015) Sonia Vega et al. METHODS
- Applying thermodynamic profiling in lead finding and optimization
- (2015) Gerhard Klebe NATURE REVIEWS DRUG DISCOVERY
- The drug–target residence time model: a 10-year retrospective
- (2015) Robert A. Copeland NATURE REVIEWS DRUG DISCOVERY
- Structure-Based Design, Synthesis and Validation of CD4-Mimetic Small Molecule Inhibitors of HIV-1 Entry: Conversion of a Viral Entry Agonist to an Antagonist
- (2014) Joel R. Courter et al. ACCOUNTS OF CHEMICAL RESEARCH
- The role of ligand efficiency metrics in drug discovery
- (2014) Andrew L. Hopkins et al. NATURE REVIEWS DRUG DISCOVERY
- Correlating Structure and Energetics in Protein-Ligand Interactions: Paradigms and Paradoxes
- (2013) Stephen F. Martin et al. Annual Review of Biochemistry
- Entropy-Enthalpy Compensation: Role and Ramifications in Biomolecular Ligand Recognition and Design
- (2013) John D. Chodera et al. Annual Review of Biophysics
- The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
- (2013) Michael D. Shultz BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Thermodynamic Evaluation of the Binding of Bisphosphonates to Human Farnesyl Pyrophosphate Synthase
- (2013) Yuko Kawasaki et al. CHEMICAL & PHARMACEUTICAL BULLETIN
- Lipophilic efficiency: the most important efficiency metric in medicinal chemistry
- (2013) Kevin D Freeman-Cook et al. Future Medicinal Chemistry
- Contributions of Molecular Properties to Drug Promiscuity
- (2013) Ákos Tarcsay et al. JOURNAL OF MEDICINAL CHEMISTRY
- Water Networks Contribute to Enthalpy/Entropy Compensation in Protein–Ligand Binding
- (2013) Benjamin Breiten et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Optimization of CD4/gp120 Inhibitors by Thermodynamic-Guided Alanine-Scanning Mutagenesis
- (2012) Yingyun Liu et al. Chemical Biology & Drug Design
- The dark energy of proteins comes to light: conformational entropy and its role in protein function revealed by NMR relaxation
- (2012) A Joshua Wand CURRENT OPINION IN STRUCTURAL BIOLOGY
- Thermodynamic studies for drug design and screening
- (2012) Nichola C Garbett et al. Expert Opinion on Drug Discovery
- The influence of lipophilicity in drug discovery and design
- (2012) John A Arnott et al. Expert Opinion on Drug Discovery
- Interfacial water molecules in SH3 interactions: Getting the full picture on polyproline recognition by protein-protein interaction domains
- (2012) Ana Zafra-Ruano et al. FEBS LETTERS
- Impact of Lipophilic Efficiency on Compound Quality
- (2012) Ákos Tarcsay et al. JOURNAL OF MEDICINAL CHEMISTRY
- Entropy-enthalpy transduction caused by conformational shifts can obscure the forces driving protein-ligand binding
- (2012) A. T. Fenley et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Systematic errors in isothermal titration calorimetry: Concentrations and baselines
- (2011) Joel Tellinghuisen et al. ANALYTICAL BIOCHEMISTRY
- Kinetic efficiency: the missing metric for enhancing compound quality?
- (2011) Geoffrey A. Holdgate et al. DRUG DISCOVERY TODAY
- Finding a better path to drug selectivity
- (2011) Yuko Kawasaki et al. DRUG DISCOVERY TODAY
- Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis
- (2011) Ewald Edink et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Probing the links between in vitro potency, ADMET and physicochemical parameters
- (2011) M. Paul Gleeson et al. NATURE REVIEWS DRUG DISCOVERY
- Extent of enthalpy-entropy compensation in protein-ligand interactions
- (2011) Tjelvar S. G. Olsson et al. PROTEIN SCIENCE
- Some Binding-Related Drug Properties are Dependent on Thermodynamic Signature
- (2010) Arne Schön et al. Chemical Biology & Drug Design
- Thermodynamics guided lead discovery and optimization
- (2010) György G. Ferenczy et al. DRUG DISCOVERY TODAY
- Lipophilicity in drug discovery
- (2010) Michael J Waring Expert Opinion on Drug Discovery
- Enthalpic Efficiency of Ligand Binding
- (2010) György G. Ferenczy et al. Journal of Chemical Information and Modeling
- A Medicinal Chemist’s Guide to Molecular Interactions
- (2010) Caterina Bissantz et al. JOURNAL OF MEDICINAL CHEMISTRY
- Identification and characterization of the lipid-binding property of GrlR, a locus of enterocyte effacement regulator
- (2009) Chacko Jobichen et al. BIOCHEMICAL JOURNAL
- Binding thermodynamics at the human cannabinoid CB1 and CB2 receptors
- (2009) Stefania Merighi et al. BIOCHEMICAL PHARMACOLOGY
- A Thermodynamic Approach to the Affinity Optimization of Drug Candidates
- (2009) Ernesto Freire Chemical Biology & Drug Design
- Adding calorimetric data to decision making in lead discovery: a hot tip
- (2009) John E. Ladbury et al. NATURE REVIEWS DRUG DISCOVERY
- The influence of lead discovery strategies on the properties of drug candidates
- (2009) György M. Keserü et al. NATURE REVIEWS DRUG DISCOVERY
- Calorimetry and Thermodynamics in Drug Design
- (2008) Jonathan B. Chaires Annual Review of Biophysics
- Physiochemical drug properties associated with in vivo toxicological outcomes
- (2008) Jason D. Hughes et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Do enthalpy and entropy distinguish first in class from best in class?
- (2008) E FREIRE DRUG DISCOVERY TODAY
- Isothermal titration calorimetry at very low c
- (2007) Joel Tellinghuisen ANALYTICAL BIOCHEMISTRY
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