Rozdział w monografii
Brak miniatury
Licencja
ClosedAccessDostęp zamknięty
 

Application of a Membrane Protein Structure Prediction Web Service GPCRM to a Gastric Inhibitory Polypeptide Receptor Model

Uproszczony widok
dc.abstract.enA novel versatile tool named GPCRM has been developed. It targets structure prediction of a distinct protein family of G protein-coupled receptors (GPCRs). In principle, GPCRM builds a GPCR model using a MODELLER-based homology modeling procedure. In addition, that commonly used procedure was improved by using comparison of sequence profiles, multiple template structures and the extensive loop refinement in Rosetta. We applied our method to predict a three dimensional structure of a gastric inhibitory polypeptide receptor (GIPR) from the secretin-like class B of human GPCRs. The GIPR model was also tested in an ensemble docking study in which we investigated plausible interactions of four potential antagonists with that receptor. Out of those four ligands we suggested ChEMBL_1933363 as the most potent antagonist of GIPR based on the Glide docking results.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorLatek, Dorota
dc.contributor.authorFilipek, Sławomir
dc.contributor.authorMłynarczyk, Krzysztof
dc.contributor.authorMiszta, Przemysław
dc.contributor.authorJakowiecki, Jakub
dc.contributor.authorRutkowska, Ewelina
dc.contributor.authorPasznik, Paweł
dc.date.accessioned2024-01-28T20:00:11Z
dc.date.available2024-01-28T20:00:11Z
dc.date.issued2017
dc.description.financeNie dotyczy
dc.identifier.doi10.1007/978-3-319-56154-7_15
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/150588
dc.identifier.weblinkhttps://link.springer.com/chapter/10.1007/978-3-319-56154-7_15
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.publisher.ministerialSpringer
dc.relation.bookBioinformatics and Biomedical Engineering: 5th International Work-Conference, IWBBIO 2017, Granada, Spain, April 26–28, 2017, Proceedings, Part II
dc.relation.pages151-162
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.subject.enGastric inhibitory polypeptide receptor
dc.subject.enGIPR
dc.subject.enAntagonist
dc.subject.enChEMBL_1933363
dc.subject.enGPCRM
dc.subject.enG protein-coupled receptors
dc.subject.enMembrane proteins
dc.subject.enMODELLER
dc.subject.enRosetta
dc.subject.enStructure prediction
dc.subject.enHomology modeling
dc.titleApplication of a Membrane Protein Structure Prediction Web Service GPCRM to a Gastric Inhibitory Polypeptide Receptor Model
dc.typeMonographChapter
dspace.entity.typePublication