5-HT7 receptor ligands: recent developments and potential therapeutic applications
V Pittala, L Salerno, M Modica… - Mini reviews in …, 2007 - ingentaconnect.com
The 5-HT7 receptors (5-HT7Rs) are the most recent classified members of the serotonin
family. Characterized in 1993, they belong to the G protein-coupled receptor family. Since …
family. Characterized in 1993, they belong to the G protein-coupled receptor family. Since …
Pharmacophore models for metabotropic 5-HT receptor ligands
AJ Bojarski - Current topics in medicinal chemistry, 2006 - ingentaconnect.com
An overview of pharmacophore models, developed for different subtypes of serotonin
receptors belonging to the GPCR family, is presented. Starting with early models for 5-HT1A …
receptors belonging to the GPCR family, is presented. Starting with early models for 5-HT1A …
Impact of template choice on homology model efficiency in virtual screening
K Rataj, J Witek, S Mordalski, T Kosciolek… - Journal of chemical …, 2014 - ACS Publications
Homology modeling is a reliable method of predicting the three-dimensional structures of
proteins that lack NMR or X-ray crystallographic data. It employs the assumption that a …
proteins that lack NMR or X-ray crystallographic data. It employs the assumption that a …
[HTML][HTML] A Linear Combination of Pharmacophore Hypotheses as a New Tool in Search of New Active Compounds – An Application for 5-HT1A Receptor Ligands
D Warszycki, S Mordalski, K Kristiansen, R Kafel… - PLoS …, 2013 - journals.plos.org
This study explores a new approach to pharmacophore screening involving the use of an
optimized linear combination of models instead of a single hypothesis. The implementation …
optimized linear combination of models instead of a single hypothesis. The implementation …
Knowledge-based libraries for predicting the geometric preferences of druglike molecules
We describe the automated generation of libraries for predicting the geometric preferences
of druglike molecules. The libraries contain distributions of molecular dimensions based on …
of druglike molecules. The libraries contain distributions of molecular dimensions based on …
SAR-studies on the importance of aromatic ring topologies in search for selective 5-HT7 receptor ligands among phenylpiperazine hydantoin derivatives
J Handzlik, AJ Bojarski, G Satała, M Kubacka… - European Journal of …, 2014 - Elsevier
The current study is focused on newly developed phenylpiperazine derivatives of aromatic
methylhydantoin differing in mutual positions of methyl and phenyl moieties. The new …
methylhydantoin differing in mutual positions of methyl and phenyl moieties. The new …
Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening
IA Schepetkin, AI Khlebnikov… - Journal of medicinal …, 2006 - ACS Publications
Anthrax lethal factor (LF) is a key virulence factor of anthrax lethal toxin. We screened a
chemolibrary of 10 000 drug-like molecules for their ability to inhibit LF and identified 18 …
chemolibrary of 10 000 drug-like molecules for their ability to inhibit LF and identified 18 …
From Homology Models to a Set of Predictive Binding Pockets–a 5-HT1A Receptor Case Study
D Warszycki, M Rueda, S Mordalski… - Journal of chemical …, 2017 - ACS Publications
Despite its remarkable importance in the arena of drug design, serotonin 1A receptor (5-
HT1A) has been elusive to the X-ray crystallography community. This lack of direct structural …
HT1A) has been elusive to the X-ray crystallography community. This lack of direct structural …
In silico studies targeting G-protein coupled receptors for drug research against Parkinson's disease
Parkinson's Disease (PD) is a long-term neurodegenerative brain disorder that mainly
affects the motor system. The causes are still unknown, and even though currently there is …
affects the motor system. The causes are still unknown, and even though currently there is …
Synthesis and biological evaluation of 2-fluoro and 3-trifluoromethyl-phenyl-piperazinylalkyl derivatives of 1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione as potential …
A series of 2-fluoro and 3-trifluoromethylphenylpiperazinylalkyl derivatives of 1 H-imidazo [2,
1-f] purine-2, 4 (3 H, 8 H)-dione (4–21) were synthesized and evaluated for their serotonin (5 …
1-f] purine-2, 4 (3 H, 8 H)-dione (4–21) were synthesized and evaluated for their serotonin (5 …