Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity.
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N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular ActivityRelease of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discoveryNew compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.Interrogating the relationship between rat in vivo tissue distribution and drug property data for >200 structurally unrelated molecules.Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis.The effect of initial purity on the stability of solutions in storage.Testing tuberculosis drug efficacy in a zebrafish high-throughput translational medicine screenMycobacterium tuberculosis gyrase inhibitors as a new class of antitubercular drugs.Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.A Focused Screen Identifies Antifolates with Activity on Mycobacterium tuberculosis.Prediction of Drug Penetration in Tuberculosis LesionsWhat does the aromatic ring number mean for drug design?Intestinal solubility and absorption of poorly water soluble compounds: predictions, challenges and solutions.Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface.Exploring the Influence of the Aromaticity on the Anticancer and Antivascular Activities of Organoplatinum(II) Complexes.A High-Throughput Screen to Identify LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease Using RapidFire Mass Spectrometry.Discovery and Optimization of 5-Amino-1,2,3-triazole-4-carboxamide Series against Trypanosoma cruziInvestigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor.Computational prediction of drug solubility in fasted simulated and aspirated human intestinal fluid.QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities.Lipophilicity and biomimetic properties to support drug discovery.Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like molecules.Development of a Novel Quantitative Structure-Activity Relationship Model to Accurately Predict Pulmonary Absorption and Replace Routine Use of the Isolated Perfused Respiring Rat Lung Model.Investigating the Influence of (Deoxy)fluorination on the Lipophilicity of Non-UV-Active Fluorinated Alkanols and Carbohydrates by a New log P Determination Method.Molecular Property Design: Does Everyone Get It?Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water.Structure Activity Relationships of αv Integrin Antagonists for Pulmonary Fibrosis by Variation in Aryl Substituents.Photoassisted Synthesis of Complex Molecular Architectures: Dearomatization of Benzenoid Arenes with Aza-o-xylylenes via an Unprecedented [2+4] Reaction Topology.Why Can dl-Sotalol Prolong the QT Interval In Vivo Despite Its Weak Inhibitory Effect on hERG K(+) Channels In Vitro? Electrophysiological and Pharmacokinetic Analysis with the Halothane-Anesthetized Guinea Pig Model.GSK6853, a Chemical Probe for Inhibition of the BRPF1 BromodomainScreening a protein kinase inhibitor library against Plasmodium falciparum.Ligand efficiency metrics in drug discovery: the pros and cons from a practical perspective.Identifying inhibitors of the Leishmania inositol phosphorylceramide synthase with antiprotozoal activity using a yeast-based assay and ultra-high throughput screening platform.The role of ligand efficiency metrics in drug discovery.
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Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 16 June 2011
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Getting physical in drug disco ...... measurements and aromaticity.
@en
Getting physical in drug disco ...... measurements and aromaticity.
@nl
type
label
Getting physical in drug disco ...... measurements and aromaticity.
@en
Getting physical in drug disco ...... measurements and aromaticity.
@nl
prefLabel
Getting physical in drug disco ...... measurements and aromaticity.
@en
Getting physical in drug disco ...... measurements and aromaticity.
@nl
P2093
P1433
P1476
Getting physical in drug disco ...... measurements and aromaticity.
@en
P2093
Alan P Hill
Christopher N Luscombe
Darren V S Green
Robert J Young
P304
P356
10.1016/J.DRUDIS.2011.06.001
P577
2011-06-16T00:00:00Z