Drug Design for G-Protein-Coupled Receptors by a Ligand-Based NMR Method

2010 ◽  
Vol 122 (8) ◽  
pp. 1468-1471 ◽  
Author(s):  
Stefan Bartoschek ◽  
Thomas Klabunde ◽  
Elisabeth Defossa ◽  
Viktoria Dietrich ◽  
Siegfried Stengelin ◽  
...  
Keyword(s):  
Drug Design ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Nmr Method ◽  
G Protein Coupled

Drug Design for G-Protein-Coupled Receptors by a Ligand-Based NMR Method

2010 ◽  
Vol 49 (8) ◽  
pp. 1426-1429 ◽  
Author(s):  
Stefan Bartoschek ◽  
Thomas Klabunde ◽  
Elisabeth Defossa ◽  
Viktoria Dietrich ◽  
Siegfried Stengelin ◽  
...  
Keyword(s):  
Drug Design ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Nmr Method ◽  
G Protein Coupled

Novel Insights into Biased Agonism at G Protein-Coupled Receptors and their Potential for Drug Design

2013 ◽  
Vol 19 (28) ◽  
pp. 5156-5166 ◽  
Author(s):  
Maria Marti-Solano ◽  
Ramon Guixa-Gonzalez ◽  
Ferran Sanz ◽  
Manuel Pastor ◽  
Jana Selent
Keyword(s):  
Drug Design ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Biased Agonism ◽  
G Protein Coupled

scholarly journals Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design

2018 ◽  
Vol 9 ◽  
Author(s):  
Shaherin Basith ◽  
Minghua Cui ◽  
Stephani J. Y. Macalino ◽  
Jongmi Park ◽  
Nina A. B. Clavio ◽  
...  
Keyword(s):  
Drug Design ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Rational Drug Design ◽  
Rational Drug ◽  
G Protein Coupled

Polypharmacology – a challenge for current drug design approaches

2019 ◽  
Vol 6 (3) ◽  
pp. 19-23
Author(s):  
Sabina Podlewska ◽  
Rafał Kurczab
Keyword(s):  
Molecular Modeling ◽  
Side Effects ◽  
Drug Design ◽  
G Protein ◽  
Design Process ◽  
Serotonin Receptors ◽  
G Protein Coupled Receptors ◽  
Activity Profile ◽  
Activity Groups ◽  
G Protein Coupled

Drug design process faces many challenges, and the most important ones are connected with side effects. Finding compounds that possess affinity towards target of interest is relatively simple; however, an approach one disease-one target is now making space for the search of polypharmacological ligands, where activity towards several proteins is considered at one time. Such proteins are not always the target ones, but very often such panels include also anti-targets, interaction with which is not desired, due to the side effects that may occur upon such contact. In the study, we examined ligands of four G protein-coupled receptors, forming antipsychotic profile: dopamine receptor D2, serotonin receptors 5-HT2A, 5-HT2C (anti-target), and 5-HT6. Number of ligands belonging to particular activity groups, as well as the selected compound structures are examined in detail. Also compound similarity between sets of different activity groups is analysed, giving a picture of difficulty of constructing molecular modeling methodologies that can help in the search of compounds with desired activity profile.

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