标题
The role of ligand efficiency metrics in drug discovery
作者
关键词
-
出版物
NATURE REVIEWS DRUG DISCOVERY
Volume 13, Issue 2, Pages 105-121
出版商
Springer Nature
发表日期
2014-01-31
DOI
10.1038/nrd4163
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- 5th Drug Desing & Lead Discovery Conference 2009: Lead Finding Strategies and Optimization Case Studies
- (2015) G.M. Keseru DRUGS OF THE FUTURE
- The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
- (2013) Michael D. Shultz BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters
- (2013) Michael D. Shultz BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Lipophilic efficiency: the most important efficiency metric in medicinal chemistry
- (2013) Kevin D Freeman-Cook et al. Future Medicinal Chemistry
- Update on the Discovery and Development of Cholesteryl Ester Transfer Protein Inhibitors for Reducing Residual Cardiovascular Risk
- (2013) Nathan B. Mantlo et al. JOURNAL OF MEDICINAL CHEMISTRY
- How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations
- (2013) György G. Ferenczy et al. JOURNAL OF MEDICINAL CHEMISTRY
- The 'rule of three' for fragment-based drug discovery: where are we now?
- (2013) Harren Jhoti et al. NATURE REVIEWS DRUG DISCOVERY
- Design, synthesis and structure–activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors
- (2012) Maria-Carmen Fernandez et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis
- (2012) John G. Cumming et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- New molecular insights into CETP structure and function: a review
- (2012) M. Arthur Charles et al. JOURNAL OF LIPID RESEARCH
- 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models
- (2012) Michael Soth et al. JOURNAL OF MEDICINAL CHEMISTRY
- Discovery of Agonists of Cannabinoid Receptor 1 with Restricted Central Nervous System Penetration Aimed for Treatment of Gastroesophageal Reflux Disease
- (2012) Alleyn T. Plowright et al. JOURNAL OF MEDICINAL CHEMISTRY
- Diphenylpyridylethanamine (DPPE) Derivatives as Cholesteryl Ester Transfer Protein (CETP) Inhibitors
- (2012) Lalgudi S. Harikrishnan et al. JOURNAL OF MEDICINAL CHEMISTRY
- Impact of Lipophilic Efficiency on Compound Quality
- (2012) Ákos Tarcsay et al. JOURNAL OF MEDICINAL CHEMISTRY
- Design and Synthesis of Diazatricyclodecane Agonists of the G-Protein-Coupled Receptor 119
- (2012) Etzer Darout et al. JOURNAL OF MEDICINAL CHEMISTRY
- In Vitro Measurement of Drug Efficiency Index to Aid Early Lead Optimization
- (2012) Klara Valko et al. JOURNAL OF PHARMACEUTICAL SCIENCES
- Quantifying the chemical beauty of drugs
- (2012) G. Richard Bickerton et al. Nature Chemistry
- Finding the sweet spot: the role of nature and nurture in medicinal chemistry
- (2012) Michael M. Hann et al. NATURE REVIEWS DRUG DISCOVERY
- Fragment-based lead discovery grows up
- (2012) Monya Baker NATURE REVIEWS DRUG DISCOVERY
- What Can We Learn from the Evolution of Protein-Ligand Interactions to Aid the Design of New Therapeutics?
- (2012) Alicia P. Higueruelo et al. PLoS One
- Molecular conformations, interactions, and properties associated with drug efficiency and clinical performance among VEGFR TK inhibitors
- (2012) M. McTigue et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules
- (2011) Tim Luker et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- 2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: Attenuation of hERG binding and improved HDLc-raising efficacy
- (2011) Ramzi F. Sweis et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- The successful quest for oral factor Xa inhibitors; learnings for all of medicinal chemistry?
- (2011) Robert J. Young BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity
- (2011) Robert J. Young et al. DRUG DISCOVERY TODAY
- What Do Medicinal Chemists Actually Make? A 50-Year Retrospective
- (2011) W. Patrick Walters et al. JOURNAL OF MEDICINAL CHEMISTRY
- Discovery and development of telaprevir: an NS3-4A protease inhibitor for treating genotype 1 chronic hepatitis C virus
- (2011) Ann D Kwong et al. NATURE BIOTECHNOLOGY
- Comprehensive analysis of kinase inhibitor selectivity
- (2011) Mindy I Davis et al. NATURE BIOTECHNOLOGY
- The influence of the 'organizational factor' on compound quality in drug discovery
- (2011) Paul D. Leeson et al. NATURE REVIEWS DRUG DISCOVERY
- Probing the links between in vitro potency, ADMET and physicochemical parameters
- (2011) M. Paul Gleeson et al. NATURE REVIEWS DRUG DISCOVERY
- Molecular obesity, potency and other addictions in drug discovery
- (2011) Michael M. Hann MedChemComm
- Thermodynamics of Ligand Binding and Efficiency
- (2011) Charles H. Reynolds et al. ACS Medicinal Chemistry Letters
- Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds
- (2011) Christopher Southan et al. Journal of Cheminformatics
- Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes
- (2010) Travis T. Wager et al. ACS Chemical Neuroscience
- 2-Arylbenzoxazoles as CETP inhibitors: Raising HDL-C in cynoCETP transgenic mice
- (2010) Florida Kallashi et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Small Molecule Antagonists of the Chemokine Receptor CCR5
- (2010) Remy C. Lemoine et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Computational Approaches for Fragment-Based and De Novo Design
- (2010) Kathryn Loving et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- 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
- An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs
- (2010) Emanuele Perola JOURNAL OF MEDICINAL CHEMISTRY
- Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design
- (2010) Andrew J. Woodhead et al. JOURNAL OF MEDICINAL CHEMISTRY
- Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency
- (2010) Christopher W. Murray et al. JOURNAL OF MEDICINAL CHEMISTRY
- Impact of ion class and time on oral drug molecular properties
- (2010) Paul D. Leeson et al. MedChemComm
- Using the Golden Triangle to optimize clearance and oral absorption
- (2009) Ted W. Johnson et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Defining optimum lipophilicity and molecular weight ranges for drug candidates—Molecular weight dependent lower logD limits based on permeability
- (2009) Michael J. Waring BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- 2-Arylbenzoxazoles as CETP inhibitors: Substitution and modification of the α-alkoxyamide moiety
- (2009) Julianne A. Hunt et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- A Thermodynamic Approach to the Affinity Optimization of Drug Candidates
- (2009) Ernesto Freire Chemical Biology & Drug Design
- Simple Size-Independent Measure of Ligand Efficiency
- (2009) J. Willem M. Nissink Journal of Chemical Information and Modeling
- Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
- (2009) Frank Lovering et al. JOURNAL OF MEDICINAL CHEMISTRY
- 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
- 2-Arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors: Optimization via array synthesis
- (2008) Lalgudi S. Harikrishnan et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Physiochemical drug properties associated with in vivo toxicological outcomes
- (2008) Jason D. Hughes et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Group Efficiency: A Guideline for Hits-to-Leads Chemistry
- (2008) Marcel L. Verdonk et al. ChemMedChem
- Medicinal Chemistry of Hsp90 Inhibitors
- (2008) Martin Drysdale et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Do enthalpy and entropy distinguish first in class from best in class?
- (2008) E FREIRE DRUG DISCOVERY TODAY
- Ligand Binding Efficiency: Trends, Physical Basis, and Implications
- (2008) Charles H. Reynolds et al. JOURNAL OF MEDICINAL CHEMISTRY
- Generation of a Set of Simple, Interpretable ADMET Rules of Thumb
- (2008) M. Paul Gleeson JOURNAL OF MEDICINAL CHEMISTRY
- Discovery of 1-[9-(4-Chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxylic Acid Amide Hydrochloride (CP-945,598), a Novel, Potent, and Selective Cannabinoid Type 1 Receptor Antagonist
- (2008) David A. Griffith et al. JOURNAL OF MEDICINAL CHEMISTRY
- The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design
- (2008) Tjelvar S.G. Olsson et al. JOURNAL OF MOLECULAR BIOLOGY
- Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds
- (2008) Raimund Mannhold et al. JOURNAL OF PHARMACEUTICAL SCIENCES
- Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
- (2008) J. Tsai et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Become a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get StartedAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started