Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration.
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Behavioral and antioxidant activity of a tosylbenz[g]indolamine derivative. A proposed better profile for a potential antipsychotic agentα-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studiesMolecular determinants of blood-brain barrier permeationVirtual screening and structure-based discovery of indole acylguanidines as potent β-secretase (BACE1) inhibitorsIdentification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitorsDiscovery of dihydrochalcone as potential lead for Alzheimer's disease: in silico and in vitro studyIn silico Analysis and Experimental Validation of Lignan Extracts from Kadsura longipedunculata for Potential 5-HT1AR AgonistsBioPPSy: An Open-Source Platform for QSAR/QSPR AnalysisKnowledge-Based, Central Nervous System (CNS) Lead Selection and Lead Optimization for CNS Drug DiscoveryFocused ultrasound-mediated drug delivery through the blood-brain barrier.Discovery of N-{4-[(3-hydroxyphenyl)-3-methylpiperazin-1-yl]methyl-2-methylpropyl}-4-phenoxybenzamide analogues as selective kappa opioid receptor antagonistsSelective suppression of excessive GluN2C expression rescues early epilepsy in a tuberous sclerosis murine model.Computation of the physio-chemical properties and data mining of large molecular collections.Methods to assess drug permeability across the blood-brain barrier.Can the Internet help to meet the challenges in ADME and e-ADME?Recent advances in computer-aided drug design.Let's not forget tautomers.New predictive models for blood-brain barrier permeability of drug-like moleculesPrediction of passive blood-brain partitioning: straightforward and effective classification models based on in silico derived physicochemical descriptors.How to measure drug transport across the blood-brain barrierStrategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.High-throughput screening approaches for investigating drug metabolism and pharmacokinetics.Inhibitors of catalase-amyloid interactions protect cells from beta-amyloid-induced oxidative stress and toxicity.Blood-brain barrier transport studies, aggregation, and molecular dynamics simulation of multiwalled carbon nanotube functionalized with fluorescein isothiocyanate.Searching for disease modifiers-PKC activation and HDAC inhibition - a dual drug approach to Alzheimer's disease that decreases Abeta production while blocking oxidative stressThe application of in vitro methods to safety pharmacology.Synthesis, nicotinic acetylcholine receptor binding, in vitro and in vivo pharmacology properties of 3'-(substituted pyridinyl)-deschloroepibatidine analogs.Design, synthesis, and pharmacological evaluation of JDTic analogs to examine the significance of the 3- and 4-methyl substituentsDiscovery of DNA dyes Hoechst 34580 and 33342 as good candidates for inhibiting amyloid beta formation: in silico and in vitro study.Synthetic genistein derivatives as modulators of glycosaminoglycan storage.Improving the prediction of the brain disposition for orally administered drugs using BDDCS.Computational models to predict aqueous drug solubility, permeability and intestinal absorption.Molecular properties and CYP2D6 substrates: central nervous system therapeutics case study and pattern analysis of a substrate database.Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2'-fluoro-3'-(substituted pyridinyl)-7-deschloroepibatidine analogues.Polycyclic cage structures as lipophilic scaffolds for neuroactive drugs.Strategies to minimize CNS toxicity: in vitro high-throughput assays and computational modeling.The discovery of new anesthetics by targeting GABA(A) receptors.Structure-based drug design for hypoxia-inducible factor prolyl-hydroxylase inhibitors and its therapeutic potential for the treatment of erythropoiesis-stimulating agent-resistant anemia: raising expectations for exploratory clinical trials.Can we predict blood brain barrier permeability of ligands using computational approaches?In Silico Prediction for Intestinal Absorption and Brain Penetration of Chemical Pesticides in Humans.
P2860
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P2860
Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration.
description
1999 nî lūn-bûn
@nan
1999 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
1999 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
1999年の論文
@ja
1999年論文
@yue
1999年論文
@zh-hant
1999年論文
@zh-hk
1999年論文
@zh-mo
1999年論文
@zh-tw
1999年论文
@wuu
name
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@ast
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@en
type
label
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@ast
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@en
prefLabel
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@ast
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@en
P356
P1476
Rapid calculation of polar mol ...... ood-brain barrier penetration.
@en
P2093
P304
P356
10.1021/JS980402T
P407
P577
1999-08-01T00:00:00Z