Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking

Ramin Ekhteiari Salmas; Philip Seeman; Busecan Aksoydan; Ismail Erol; Isik Kantarcioglu; Matthias Stein; Mine Yurtsever; Serdar Durdagi

doi:10.1021/acschemneuro.7b00070

Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking

Ramin Ekhteiari Salmas, Philip Seeman, Busecan Aksoydan, Ismail Erol, Isik Kantarcioglu, Matthias Stein, Mine Yurtsever, Serdar Durdagi

Chemistry

Research output: Contribution to journal › Article › peer-review

21 Citations (Scopus)

Original language	English
Pages (from-to)	1404-1415
Journal	Acs chemical neuroscience
Volume	8
Issue number	6
DOIs	https://doi.org/10.1021/acschemneuro.7b00070
Publication status	Published - Jun 2017

Keywords

Antipsychotics
Schizophrenia
Dopamine D2 receptor
LY404,039
Molecular modeling
MM/PBSA
Molecular dynamics (MD) simulations
E-Pharmacophore modeling
Ensemble docking

Access to Document

10.1021/acschemneuro.7b00070

Cite this

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title = "Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking",

keywords = "Antipsychotics, Schizophrenia, Dopamine D2 receptor, LY404,039, Molecular modeling, MM/PBSA, Molecular dynamics (MD) simulations, E-Pharmacophore modeling, Ensemble docking",

author = "Salmas, {Ramin Ekhteiari} and Philip Seeman and Busecan Aksoydan and Ismail Erol and Isik Kantarcioglu and Matthias Stein and Mine Yurtsever and Serdar Durdagi",

year = "2017",

month = jun,

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journal = "Acs chemical neuroscience",

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AU - Salmas, Ramin Ekhteiari

AU - Seeman, Philip

AU - Aksoydan, Busecan

AU - Erol, Ismail

AU - Kantarcioglu, Isik

AU - Stein, Matthias

AU - Yurtsever, Mine

AU - Durdagi, Serdar

PY - 2017/6

Y1 - 2017/6

KW - Antipsychotics

KW - Schizophrenia

KW - Dopamine D2 receptor

KW - LY404,039

KW - Molecular modeling

KW - MM/PBSA

KW - Molecular dynamics (MD) simulations

KW - E-Pharmacophore modeling

KW - Ensemble docking

U2 - 10.1021/acschemneuro.7b00070

DO - 10.1021/acschemneuro.7b00070

M3 - Article

SN - 1948-7193

VL - 8

SP - 1404

EP - 1415

JO - Acs chemical neuroscience

JF - Acs chemical neuroscience

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ER -