dc.contributor.author
Schaller, David
dc.contributor.author
Hagenow, Stefanie
dc.contributor.author
Stark, Holger
dc.contributor.author
Wolber, Gerhard
dc.date.accessioned
2019-08-13T13:46:18Z
dc.date.available
2019-08-13T13:46:18Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/25276
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-3982
dc.description.abstract
In this study, we report a ligand-guided homology modeling approach allowing the analysis of relevant binding site residue conformations and the identification of two novel histamine H3 receptor ligands with binding affinity in the nanomolar range. The newly developed method is based on exploiting an essential charge interaction characteristic for aminergic G-protein coupled receptors for ranking 3D receptor models appropriate for the discovery of novel compounds through virtual screening.
en
dc.format.extent
13 Seiten
dc.rights.uri
https://creativecommons.org/licenses/by/4.0/
dc.subject
histamine H3
en
dc.subject.ddc
500 Naturwissenschaften und Mathematik::540 Chemie::547 Organische Chemie
dc.title
Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.articlenumber
e0218820
dcterms.bibliographicCitation.doi
10.1371/journal.pone.0218820
dcterms.bibliographicCitation.journaltitle
PLoS ONE
dcterms.bibliographicCitation.number
6
dcterms.bibliographicCitation.volume
14
dcterms.bibliographicCitation.url
https://doi.org/10.1371/journal.pone.0218820
refubium.affiliation
Biologie, Chemie, Pharmazie
refubium.affiliation.other
Institut für Pharmazie
refubium.note.author
Die Publikation wurde aus Open Access Publikationsgeldern der Freien Universität Berlin und der DFG gefördert.
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
