[HTML][HTML] Recent advances and applications of molecular docking to G protein-coupled receptors

D Bartuzi, AA Kaczor, KM Targowska-Duda… - Molecules, 2017 - mdpi.com
The growing number of studies on G protein-coupled receptors (GPCRs) family are a source
of noticeable improvement in our understanding of the functioning of these proteins. GPCRs …

[HTML][HTML] Recent trends and applications of molecular modeling in GPCR–Ligand recognition and structure-based drug design

X Yuan, Y Xu - International journal of molecular sciences, 2018 - mdpi.com
G protein-coupled receptors represent the largest family of human membrane proteins and
are modulated by a variety of drugs and endogenous ligands. Molecular modeling …

Novel Arylsulfonamide Derivatives with 5-HT6/5-HT7 Receptor Antagonism Targeting Behavioral and Psychological Symptoms of Dementia

M Kołaczkowski, M Marcinkowska, A Bucki… - Journal of medicinal …, 2014 - ACS Publications
In order to target behavioral and psychological symptoms of dementia (BPSD), we used
molecular modeling-assisted design to obtain novel multifunctional arylsulfonamide …

Ultrasound assisted one-pot synthesis and preliminary in vitro studies of salicylamide arylpiperazines as dual 5-HT1A/5-HT7 ligands

J Jaśkowska, AK Drabczyk, P Śliwa, P Jodłowski… - Journal of Molecular …, 2023 - Elsevier
In our research to find new dual 5-HT 1A/5-HT 7 ligands from the long-chain arylpiperazine
(LCAP) family, we applied a new synthesis method with the support of ultrasound. The first …

Ligand-Optimized Homology Models of D1 and D2 Dopamine Receptors: Application for Virtual Screening

M Kołaczkowski, A Bucki, M Feder… - Journal of chemical …, 2013 - ACS Publications
Recent breakthroughs in crystallographic studies of G protein-coupled receptors (GPCRs),
together with continuous progress in molecular modeling methods, have opened new …

[HTML][HTML] Antipsychotic-and anxiolytic-like properties of a multimodal compound JJGW08 in rodents

E Żmudzka, K Lustyk, M Głuch-Lutwin, B Mordyl… - International Journal of …, 2022 - mdpi.com
Schizophrenia is a chronic mental illness, which remains difficult to treat. A high resistance
to the available therapies, their insufficient efficacy, and numerous side effects are the …

[HTML][HTML] Microwave-Assisted Synthesis of Trazodone and Its Derivatives as New 5-HT1A Ligands: Binding and Docking Studies

J Jaśkowska, P Zaręba, P Śliwa, E Pindelska, G Satała… - Molecules, 2019 - mdpi.com
Trazodone, a well-known antidepressant drug widely used throughout the world, works as a
5-hydroxytryptamine (5-HT2) and α1-adrenergic receptor antagonist and a serotonin …

Computational methods for studying G protein-coupled receptors (GPCRs)

AA Kaczor, E Rutkowska, D Bartuzi… - Methods in cell …, 2016 - Elsevier
The functioning of GPCRs is classically described by the ternary complex model as the
interplay of three basic components: a receptor, an agonist, and a G protein. According to …

Antidepressant-and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1, 3-dimethyl-purine-2, 6-dione derivatives with diversified 5-HT1A receptor functional profile

A Partyka, G Chłoń-Rzepa, A Wasik… - Bioorganic & medicinal …, 2015 - Elsevier
Continuing our earlier study in a group of purine-2, 6-dione derivatives of long chain
arylpiperazines (LCAPs), a series of 8-unsubstituted 7-phenylpiperazin-4-yl-alkyl (4–14) and …

Novel spirohydantoin derivative as a potent multireceptor-active antipsychotic and antidepressant agent

A Czopek, M Kołaczkowski, A Bucki, H Byrtus… - Bioorganic & Medicinal …, 2015 - Elsevier
A series of novel spirohydantoin derivatives with arylpiperazinylbutyl moiety were
synthesized and evaluated for serotonin 5-HT 1A, 5-HT 2A, 5-HT 7 and dopamine D 2 …