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pharmacophore

 
National Institutes of Health

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Receptors, Drug

Papers overview

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2017
2017
Rosmarinic acid prevents fibrillization and diminishes vibrational modes associated to β sheet in tau protein linked to Alzheimer’s disease
Abstract Alzheimer’s disease is a common tauopathy where fibril formation and aggregates are the hallmark of the disease. Efforts… Expand
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2015
2015
In vitro evaluation and in silico screening of synthetic acetylcholinesterase inhibitors bearing functionalized piperidine pharmacophores.
A series of densely functionalized piperidine (FP) scaffolds was synthesized following a diastereoselective one-pot… Expand
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2013
2013
Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors
Akt2 is considered as a potential target for cancer therapy. In order to find novel Akt2 inhibitors which have different… Expand
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Highly Cited
2011
Highly Cited
2011
3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors
Human chymase is a very important target for the treatment of cardiovascular diseases. Using a series of theoretical methods like… Expand
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2005
2005
Identification of a Novel Pharmacophore for Peptide Toxins Interacting with K+ Channels*
κM-conotoxin RIIIK blocks TSha1 K+ channels from trout with high affinity by interacting with the ion channel pore. As opposed to… Expand
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Highly Cited
1997
Highly Cited
1997
HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching.
Starting from a known inhibitor of human immunodeficiency virus type 1 (HIV-1) integrase (IN); caffeic acid phenethyl ester (CAPE… Expand
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1997
1997
New generation dopaminergic agents. 1. Discovery of a novel scaffold which embraces the D2 agonist pharmacophore. Structure-activity relationships of a series of 2-(aminomethyl)chromans.
A series of 2-(aminomethyl)chromans (2-AMCs) was synthesized and evaluated for their affinity and selectivity for both the high… Expand
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Highly Cited
1996
Highly Cited
1996
Germany
Germany performs well on many indicators of economic performance and well-being, including unemployment. In contrast, investment… Expand
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Highly Cited
1988
Highly Cited
1988
Synthesis of novel 3-substituted beta-carbolines as benzodiazepine receptor ligands: probing the benzodiazepine receptor pharmacophore.
The 3-substituted beta-carbolines 2-4 and 5-7 were prepared from 3-amino-beta-carboline (8) in one step via diazotization… Expand
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Highly Cited
1988
Highly Cited
1988
Binaltorphimine-related bivalent ligands and their kappa opioid receptor antagonist selectivity.
In an effort to develop selective antagonists for kappa opioid receptors, bivalent ligands that contain opioid antagonist… Expand
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