2D QSAR modeling and preliminary database searching for dopamine transporter inhibitors using genetic algorithm variable selection of Molconn Z descriptors
BT Hoffman, T Kopajtic, JL Katz… - Journal of medicinal …, 2000 - ACS Publications
In light of the chronic problem of abuse of the controlled substance cocaine, we have
investigated novel approaches toward both understanding the activity of inhibitors of the …
investigated novel approaches toward both understanding the activity of inhibitors of the …
Strategies for improved modeling of GPCR-drug complexes: blind predictions of serotonin receptors bound to ergotamine
D Rodríguez, A Ranganathan… - Journal of Chemical …, 2014 - ACS Publications
The recent increase in the number of atomic-resolution structures of G protein-coupled
receptors (GPCRs) has contributed to a deeper understanding of ligand binding to several …
receptors (GPCRs) has contributed to a deeper understanding of ligand binding to several …
[HTML][HTML] Identification of Novel Dopamine D2 Receptor Ligands—A Combined In Silico/In Vitro Approach
L Zell, C Lainer, J Kollár, V Temml, D Schuster - Molecules, 2022 - mdpi.com
Diseases of the central nervous system are an alarming global problem showing an
increasing prevalence. Dopamine receptor D2 (D2R) has been shown to be involved in …
increasing prevalence. Dopamine receptor D2 (D2R) has been shown to be involved in …
QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides
QSAR modeling was performed on 58 (S) N-[(1-ethyl-2-pyrrolidinyl) methyl]-6-methoxy
benzamides as dopamine (DA) D2 receptor antagonists to identify the structural …
benzamides as dopamine (DA) D2 receptor antagonists to identify the structural …
Targeting the dopamine D3 receptor: an overview of drug design strategies
A Cortes, E Moreno, M Rodriguez-Ruiz… - Expert opinion on …, 2016 - Taylor & Francis
Introduction: Dopamine is a neurotransmitter widely distributed in both the periphery and the
central nervous system (CNS). Its physiological effects are mediated by five closely related G …
central nervous system (CNS). Its physiological effects are mediated by five closely related G …
Dopamine D4 Ligands and Models of Receptor Activation: 2-(4-Pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole and Related Heteroarylmethylarylpiperazines …
AO Stewart, MD Cowart, RB Moreland… - Journal of medicinal …, 2004 - ACS Publications
A series of subtype selective dopamine D4 receptor ligands from the
hetroarylmethylphenylpiperazine class have been discovered that exhibit a remarkable …
hetroarylmethylphenylpiperazine class have been discovered that exhibit a remarkable …
Further delineation of hydrophobic binding sites in dopamine D2/D3 receptors for N-4 substituents on the piperazine ring of the hybrid template 5/7-{[2-(4-aryl …
B Ghosh, T Antonio, B Gopishetty, M Reith… - Bioorganic & medicinal …, 2010 - Elsevier
Here we report a structure–activity relationship (SAR) study of analogues of 5/7-{[2-(4-aryl-
piperazin-1-yl)-ethyl]-propyl-amino}-5, 6, 7, 8-tetrahydro-naphthalen-2-ol. Our SAR is …
piperazin-1-yl)-ethyl]-propyl-amino}-5, 6, 7, 8-tetrahydro-naphthalen-2-ol. Our SAR is …
Computational modeling toward understanding agonist binding on dopamine 3
Y Zhao, X Lu, C Yang, Z Huang, W Fu… - Journal of chemical …, 2010 - ACS Publications
The dopamine 3 (D3) receptor is a promising therapeutic target for the treatment of nervous
system disorders, such as Parkinson's disease, and current research interests primarily …
system disorders, such as Parkinson's disease, and current research interests primarily …
Current assessment of docking into GPCR crystal structures and homology models: successes, challenges, and guidelines
The growing availability of novel structures for several G protein-coupled receptors (GPCRs)
has provided new opportunities for structure-based drug design of ligands against this …
has provided new opportunities for structure-based drug design of ligands against this …
Exploring Structural Determinants of Bias among D4 Subtype-Selective Dopamine Receptor Agonists
F Graßl, L Bock, A Huete-Huerta González… - Journal of Medicinal …, 2023 - ACS Publications
The high affinity dopamine D4 receptor ligand APH199 and derivatives thereof exhibit bias
toward the Gi signaling pathway over β-arrestin recruitment compared to quinpirole. Based …
toward the Gi signaling pathway over β-arrestin recruitment compared to quinpirole. Based …