Comparative Study of Receptor-, Receptor State-, and Membrane-Dependent Cholesterol Binding Sites in A<sub>2A</sub> and A<sub>1</sub> Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations.

Tzortzini, Efpraxia; Corey, Robin A; Kolocouris, Antonios

Comparative Study of Receptor-, Receptor State-, and Membrane-Dependent Cholesterol Binding Sites in A_2A and A₁ Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations.

Tzortzini, Efpraxia; Corey, Robin A; Kolocouris, Antonios.

Affiliation

Tzortzini E; Laboratory of Medicinal Chemistry, Section of Pharmaceutical Chemistry, Department of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis-Zografou, 15771Athens, Greece.
Corey RA; Department of Biochemistry, University of Oxford, OxfordOX1 3QU, United Kingdom.
Kolocouris A; Laboratory of Medicinal Chemistry, Section of Pharmaceutical Chemistry, Department of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis-Zografou, 15771Athens, Greece.

J Chem Inf Model ; 63(3): 928-949, 2023 02 13.

Article in En | MEDLINE | ID: mdl-36637988

Subject(s)

Molecular Dynamics Simulation; Receptor, Adenosine A1; Receptor, Adenosine A2A; Binding Sites; Cell Membrane/metabolism; Cholesterol; Receptor, Adenosine A1/metabolism; Receptor, Adenosine A2A/chemistry; Humans

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Receptor, Adenosine A1 / Receptor, Adenosine A2A / Molecular Dynamics Simulation Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Type: Article Affiliation country: Greece

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