Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes - Test2 - elhamkhani - TriplyDB

Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes

Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes

http://www.wikidata.org/entity/Q28728799

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Kinases as druggable targets in trypanosomatid protozoan parasites Molecular determinants of blood-brain barrier permeation Design and Synthesis of High Affinity Inhibitors of Plasmodium falciparum and Plasmodium vivax N -Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (LELP)Evaluating New Chemistry to Drive Molecular Discovery: Fit for Purpose?Design and synthesis of a library of lead-like 2,4-bisheterocyclic substituted thiophenes as selective Dyrk/Clk inhibitors Knowledge-Based, Central Nervous System (CNS) Lead Selection and Lead Optimization for CNS Drug Discovery Pharmacokinetic comparison to determine the mechanisms underlying the differential efficacies of cationic diamidines against first- and second-stage human African trypanosomiasis.A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space.A unified lead-oriented synthesis of over fifty molecular scaffolds.Plasminogen Activator Inhibitor-1 Antagonist TM5484 Attenuates Demyelination and Axonal Degeneration in a Mice Model of Multiple Sclerosis The twin drug approach for novel nicotinic acetylcholine receptor ligands.Discovery of Inhibitors of Trypanosoma brucei by Phenotypic Screening of a Focused Protein Kinase Library.Discovery of Indoline-2-carboxamide Derivatives as a New Class of Brain-Penetrant Inhibitors of Trypanosoma brucei.Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of α-adrenergic/imidazoline receptor ligands, and QSPR analysis.Improving the prediction of the brain disposition for orally administered drugs using BDDCS.Prioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs.Norbenzomorphan Framework as a Novel Scaffold for Generating Sigma 2 Receptor/PGRMC1 Subtype-Selective Ligands Kinase scaffold repurposing for neglected disease drug discovery: discovery of an efficacious, lapatinib-derived lead compound for trypanosomiasis A combined bioinformatics and chemoinformatics approach for developing asymmetric bivalent AMPA receptor positive allosteric modulators as neuroprotective agents Target-based drug discovery for human African trypanosomiasis: selection of molecular target and chemical matter.Novel γ-secretase modulators: a review of patents from 2008 to 2010.The influence of the 'organizational factor' on compound quality in drug discovery.P2X receptor antagonists for pain management: examination of binding and physicochemical properties.Strategies to minimize CNS toxicity: in vitro high-throughput assays and computational modeling.The role of BCS (biopharmaceutics classification system) and BDDCS (biopharmaceutics drug disposition classification system) in drug development Modulating nitric oxide signaling in the CNS for Alzheimer's disease therapy.Chemical predictive modelling to improve compound quality.Novel histamine H4 receptor ligands and their potential therapeutic applications: an update.Reliability of In Vitro and In Vivo Methods for Predicting the Effect of P-Glycoprotein on the Delivery of Antidepressants to the Brain.Advances in Targeted Drug Delivery Approaches for the Central Nervous System Tumors: The Inspiration of Nanobiotechnology.Anti-trypanosomatid drug discovery: an ongoing challenge and a continuing need.The 6th drug discovery for neurodegeneration conference: an intensive course on translating research into drugs.The Acid/Base Profile of the Human Metabolome and Natural Products.Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties.Getting the MAX out of Computational Models: The Prediction of Unbound-Brain and Unbound-Plasma Maximum Concentrations.Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.Initial Optimization of a New Series of γ-Secretase Modulators Derived from a Triterpene Glycoside Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents.Qualification of LSP1-2111 as a Brain Penetrant Group III Metabotropic Glutamate Receptor Orthosteric Agonist.Optimization of GPR40 Agonists for Type 2 Diabetes.

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Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes

http://www.wikidata.org/entity/Q28728799

description

2010 թուականի Յունիսին հրատարակուած գիտական յօդուած

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2010 թվականի հունիսին հրատարակված գիտական հոդված

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artículu científicu espublizáu en 2010

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scientific article (publication date: 16 June 2010)

@en

vedecký článok (publikovaný 2010/06/16)

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vědecký článek publikovaný v roce 2010

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wetenschappelijk artikel (gepubliceerd op 2010/06/16)

@nl

wissenschaftlicher Artikel

@de

наукова стаття, опублікована в червні 2010

@uk

مقالة علمية نشرت في 16-6-2010 حول موضوع: علم الأحياء الخلوي

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Defining desirable central ner ...... ro ADME, and safety attributes

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Defining desirable central ner ...... ro ADME, and safety attributes

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Defining desirable central ner ...... ro ADME, and safety attributes

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Defining desirable central ner ...... ro ADME, and safety attributes

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ACS Chemical Neuroscience

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Defining desirable central ner ...... ro ADME, and safety attributes

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Anabella Villalobos

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Matthew D Troutman

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Patrick R Verhoest

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Ramalakshmi Y Chandrasekaran

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Travis T Wager

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Xinjun Hou

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Yvonne Will

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P2860

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Can the pharmaceutical industry reduce attrition rates?

Medicinal chemical properties of successful central nervous system drugs

Molecular properties that influence the oral bioavailability of drug candidates.

The impact of drug-induced QT interval prolongation on drug discovery and development.

Lipophilicity in PK design: methyl, ethyl, futile.

Physiochemical drug properties associated with in vivo toxicological outcomes.

Application of hydrogen bonding calculations in property based drug design.

Drug-like properties: guiding principles for design - or chemical prejudice?

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10.1021/CN100007X

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6

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1

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