Computational Analysis of Histamine Protonation Effects on H<sub>1</sub>R Binding.

Conrad, Marcus; Horn, Anselm H C; Sticht, Heinrich

Computational Analysis of Histamine Protonation Effects on H₁R Binding.

Conrad, Marcus; Horn, Anselm H C; Sticht, Heinrich.

Affiliation

Conrad M; Division of Bioinformatics, Institute of Biochemistry, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 91054 Erlangen, Germany.
Horn AHC; Division of Bioinformatics, Institute of Biochemistry, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 91054 Erlangen, Germany.
Sticht H; Erlangen National High Performance Computing Center (NHR@FAU), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 91058 Erlangen, Germany.

Molecules ; 28(9)2023 Apr 27.

Article in En | MEDLINE | ID: mdl-37175183

Subject(s)

Histamine; Receptors, Histamine H1; Histamine/metabolism; Receptors, Histamine H1/chemistry; Receptors, Histamine H1/metabolism; Histamine Agonists/pharmacology; Receptors, Histamine H2; GTP-Binding Proteins/metabolism

Key words

GPCR; Gq; H1R; histamine; molecular dynamics; protonation; tautomers

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Receptors, Histamine H1 / Histamine Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2023 Document type: Article Affiliation country: Germany Country of publication: Switzerland

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