pharmacophore

 
National Institutes of Health

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Receptors, Drug

Papers overview

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2015
2015
A Combined Pharmacophore Modeling, 3D QSAR and Virtual Screening Studies on Imidazopyridines as B-Raf Inhibitors
B-Raf kinase is an important target in treatment of cancers. In order to design and find potent B-Raf inhibitors (BRIs), 3D… (More)
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2015
2015
DrugOn: a fully integrated pharmacophore modeling and structure optimization toolkit
During the past few years, pharmacophore modeling has become one of the key components in computer-aided drug design and in… (More)
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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… (More)
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2013
2013
Molecular modeling and pharmacophore elucidation study of the Classical Swine Fever virus helicase as a promising pharmacological target
The Classical Swine Fever virus (CSFV) is a major pathogen of livestock and belongs to the flaviviridae viral family. Even though… (More)
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2012
2012
Combined Structure-Based Pharmacophore and 3D-QSAR Studies on Phenylalanine Series Compounds as TPH1 Inhibitors
Tryptophan hydroxylase-1 (TPH1) is a key enzyme in the synthesis of serotonin. As a neurotransmitter, serotonin plays important… (More)
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2011
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… (More)
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2011
2011
Dynamic Structure-Based Pharmacophore Model Development: A New and Effective Addition in the Histone Deacetylase 8 (HDAC8) Inhibitor Discovery
Histone deacetylase 8 (HDAC8) is an enzyme involved in deacetylating the amino groups of terminal lysine residues, thereby… (More)
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2009
2009
Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics.
Histamine H3 receptor (H3R) antagonists have some antipsychotic properties although the clear molecular mechanism is still… (More)
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2000
2000
Binding of norbinaltorphimine (norBNI) congeners to wild-type and mutant mu and kappa opioid receptors: molecular recognition loci for the pharmacophore and address components of kappa antagonists.
Molecular modifications of both the kappa opioid antagonist norbinaltorphimine (norBNI, 1) and the kappa receptor have provided… (More)
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1997
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… (More)
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