… -Dimensional Structure of Dopamine 3 (D3) Subtype Receptor: Discovery of Novel and Potent D3 Ligands through a Hybrid Pharmacophore- and Structure-Based …
J Varady, X Wu, X Fang, J Min, Z Hu… - Journal of medicinal …, 2003 - ACS Publications
… D 3 receptor structures, we further applied a hybrid, stepwise … In this computational approach,
a pharmacophore model was … Hits identified from pharmacophore searching were further …
a pharmacophore model was … Hits identified from pharmacophore searching were further …
Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods
J Cheng, G Liu, J Zhang, Z Xu, Y Tang - Journal of Molecular Modeling, 2011 - Springer
… In this study, a ligand-based method, pharmacophore modeling was applied to extract
common and specific chemical features for three opioid receptor subtypes. Then, homology …
common and specific chemical features for three opioid receptor subtypes. Then, homology …
Retrieving novel C5aR antagonists using a hybrid ligand-based virtual screening protocol based on SVM classification and pharmacophore models
… hybrid ligand-based VS protocol that is based on support vector machine (SVM) classification
and pharmacophore … in that the receptor structure was created by homology modeling. The …
and pharmacophore … in that the receptor structure was created by homology modeling. The …
[HTML][HTML] Selective ligands of estrogen receptor β discovered using pharmacophore mapping and structure-based virtual screening
L Chen, D Wu, H Bian, G Kuang, J Jiang, W Li… - Acta Pharmacologica …, 2014 - nature.com
… Yeast two-hybrid (Y2H) assay was used to detect the activity … the strategy combining
pharmacophore and molecular docking … differences between the two subtypes of estrogen …
pharmacophore and molecular docking … differences between the two subtypes of estrogen …
[HTML][HTML] Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores
N Lagarde, S Delahaye, JF Zagury… - Journal of cheminformatics, 2016 - Springer
… pharmacophoric … LB 3D pharmacophores and compared the ability of these two approaches
to generate agonist selective pharmacophores and antagonist selective pharmacophores …
to generate agonist selective pharmacophores and antagonist selective pharmacophores …
Receptor-Based Pharmacophores for Serotonin 5-HT7R AntagonistsImplications to Selectivity
M Kołaczkowski, M Nowak, M Pawłowski… - Journal of medicinal …, 2006 - ACS Publications
… 5-HT 7 receptor antagonists was … receptor-based pharmacophores: first containing features
necessary for high 5-HT 7 R affinity and the other defining selectivity for this receptor subtype. …
necessary for high 5-HT 7 R affinity and the other defining selectivity for this receptor subtype. …
Pharmacophore models based studies on the affinity and selectivity toward 5-HT1A with reference to α1-adrenergic receptors among arylpiperazine derivatives of …
J Handzlik, E Szymańska, K Nędza, M Kubacka… - Bioorganic & medicinal …, 2011 - Elsevier
… Pharmacophore models of serotonin receptors ligands have been created for above thirty
… with the receptor. During the next twenty years a number of pharmacophore models of 5-HT …
… with the receptor. During the next twenty years a number of pharmacophore models of 5-HT …
Pharmacophore and QSAR modeling of estrogen receptor β ligands and subsequent validation and in silico search for new hits
… pharmacophores prompted us to merge them in two hybrid models. The hybrid pharmacophores
… There are two subtypes of estrogen receptors encoded by different genes: ERα and …
… There are two subtypes of estrogen receptors encoded by different genes: ERα and …
Hybrid Ortho/Allosteric Ligands for the Adenosine A1 Receptor
… ligand is a hybrid molecule in which two pharmacophores are … heterobivalent ligands may
have pharmacophores that bind to … receptor subtype selectivity and/or enhanced affinity for the …
have pharmacophores that bind to … receptor subtype selectivity and/or enhanced affinity for the …
[HTML][HTML] Pharmacophore models and pharmacophore-based virtual screening: concepts and applications exemplified on hydroxysteroid dehydrogenases
… modeling for the discovery of novel transient receptor potential … false positive hits, the hybrid
model was more restrictive due to … on metabotropic glutamate receptor subtype 4. J. Med. …
model was more restrictive due to … on metabotropic glutamate receptor subtype 4. J. Med. …
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