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Process of Fragment-Based Lead Discovery-A Perspective from NMRStructural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrRFragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexesDiscovery, Design, and Optimization of Isoxazole Azepine BET InhibitorsA natural-product switch for a dynamic protein interfaceObserved bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2NMR Fragment Screening Hit Induces Plasticity of BRD7/9 BromodomainsPharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1Inhibition of Paracoccidioides lutzii Pb01 isocitrate lyase by the natural compound argentilactone and its semi-synthetic derivativesChemical, target, and bioactive properties of allosteric modulationDefining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributesRetrospective Mapping of SAR Data for TTR Protein in Chemico-Biological Space Using Ligand Efficiency Indices as a Guide to Drug Discovery Strategies.Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum.Analysis of structure-based virtual screening studies and characterization of identified active compounds.AtlasCBS: a web server to map and explore chemico-biological space.The essential roles of chemistry in high-throughput screening triageSynthesis and structure-activity relationship studies of 2-(1,3,4-oxadiazole-2(3H)-thione)-3-amino-5-arylthieno[2,3-b]pyridines as inhibitors of DRAK2.Small molecule inhibition of the Na(+)/H(+) exchange regulatory factor 1 and parathyroid hormone 1 receptor interaction.Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agents.Combination of Pharmacophore Matching, 2D Similarity Search, and In Vitro Biological Assays in the Selection of Potential 5-HT6 Antagonists from Large Commercial Repositories.Three-dimensional structures in the design of therapeutics targeting parasitic protozoa: reflections on the past, present and future.The twin drug approach for novel nicotinic acetylcholine receptor ligands.Design and Synthesis of Nicotinic Acetylcholine Receptor Antagonists and their Effect on Cognitive Impairment.An in silico high-throughput screen identifies potential selective inhibitors for the non-receptor tyrosine kinase Pyk2.SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious RORγ Inhibitor.Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.Rational Development of a Potent 15-Lipoxygenase-1 Inhibitor with in Vitro and ex Vivo Anti-inflammatory Properties.Micro-Environmental Signature of The Interactions between Druggable Target Protein, Dipeptidyl Peptidase-IV, and Anti-Diabetic Drugs.Developing inhibitors of glycan processing enzymes as tools for enabling glycobiology.In silico fragment-based drug design.Ligand-receptor interaction platforms and their applications for drug discovery.Advances in multiparameter optimization methods for de novo drug design.What does the aromatic ring number mean for drug design?Combining label-free cell phenotypic profiling with computational approaches for novel drug discovery.The impact of binding thermodynamics on medicinal chemistry optimizations.Ligand Efficiency Indices (LEIs): More than a Simple Efficiency Yardstick.Alternative variables in drug discovery: promises and challenges.CZ415, a Highly Selective mTOR Inhibitor Showing in Vivo Efficacy in a Collagen Induced Arthritis Model.Thermodynamics of ligand binding and efficiency.Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties.
P2860
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P2860
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Ligand efficiency indices for effective drug discovery.
@en
type
label
Ligand efficiency indices for effective drug discovery.
@en
prefLabel
Ligand efficiency indices for effective drug discovery.
@en
P2860
P356
P1476
Ligand efficiency indices for effective drug discovery.
@en
P2093
Cele Abad-Zapatero
P2860
P304
P356
10.1517/17460441.2.4.469
P407
P577
2007-04-01T00:00:00Z