Investigation of [(3)H]diazepam derivatives as allosteric modulators of GABAA receptor α(1)β(2)γ(2) subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysis

In this paper, a data set of [(3)H] diazepam derivatives was analyzed using various computational methods: molecular docking/dynamic simulations, and QSAR analysis. The main aims of these studies are to understand the binding mechanisms by which benzodiazepines allosterically modulate GABA(A) recept...

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Detalles Bibliográficos
Autores principales: Djebaili, Rachida, Kenouche, Samir, Daoud, Ismail, Melkemi, Nadjib, Belkadi, Ahlem, Mesli, Fouzia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2022
Materias:
Original Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9365687/
https://www.ncbi.nlm.nih.gov/pubmed/35971551
http://dx.doi.org/10.1007/s11224-022-02029-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9365687/
https://www.ncbi.nlm.nih.gov/pubmed/35971551
http://dx.doi.org/10.1007/s11224-022-02029-4

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