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Research Articles

Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism

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Pages 738-754 | Received 07 Oct 2015, Accepted 24 Feb 2016, Published online: 06 Apr 2016

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Read on this site (7)

David Montgomery, Alexandra Campbell, Holli-Joi Sullivan & Chun Wu. (2019) Molecular dynamics simulation of biased agonists at the dopamine D2 receptor suggests the mechanism of receptor functional selectivity. Journal of Biomolecular Structure and Dynamics 37:12, pages 3206-3225.
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Ramin Ekhteiari Salmas, Yusuf Serhat Is, Serdar Durdagi, Matthias Stein & Mine Yurtsever. (2018) A QM protein–ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R). Journal of Biomolecular Structure and Dynamics 36:10, pages 2668-2677.
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Subrata Dasgupta, Soumita Mukherjee, Bishnu P Mukhopadhyay, Avik Banerjee & Deepak K Mishra. (2018) Recognition dynamics of dopamine to human Monoamine oxidase B: role of Leu171/Gln206 and conserved water molecules in the active site cavity. Journal of Biomolecular Structure and Dynamics 36:6, pages 1439-1462.
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Mehmet Erman Erdemli, Ramin Ekhteiari Salmas, Serdar Durdagi, Hasan Akgul, Mehmet Demirkol, Zeynep Aksungur & Zeliha Selamoglu. (2018) Biochemical changes induced by grape seed extract and low level laser therapy administration during intraoral wound healing in rat liver: an experimental and in silico study. Journal of Biomolecular Structure and Dynamics 36:4, pages 993-1008.
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Ramin Ekhteiari Salmas, Serdar Durdagi, Mehmet Fuat Gulhan, Merve Duruyurek, Huda I. Abdullah & Zeliha Selamoglu. (2018) The effects of pollen, propolis, and caffeic acid phenethyl ester on tyrosine hydroxylase activity and total RNA levels in hypertensive rats caused by nitric oxide synthase inhibition: experimental, docking and molecular dynamic studies. Journal of Biomolecular Structure and Dynamics 36:3, pages 609-620.
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Ramin Ekhteiari Salmas, Matthias Stein, Mine Yurtsever, Philip Seeman, Ismail Erol, Mert Mestanoglu & Serdar Durdagi. (2017) The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands. Journal of Biomolecular Structure and Dynamics 35:9, pages 2040-2048.
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Ramin Ekhteiari Salmas, Ayhan Unlu, Muhammet Bektaş, Mine Yurtsever, Mert Mestanoglu & Serdar Durdagi. (2017) Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies. Journal of Biomolecular Structure and Dynamics 35:9, pages 1899-1915.
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Articles from other publishers (7)

Andrea de Bartolomeis, Mariateresa Ciccarelli, Giuseppe De Simone, Benedetta Mazza, Annarita Barone & Licia Vellucci. (2023) Canonical and Non-Canonical Antipsychotics’ Dopamine-Related Mechanisms of Present and Next Generation Molecules: A Systematic Review on Translational Highlights for Treatment Response and Treatment-Resistant Schizophrenia. International Journal of Molecular Sciences 24:6, pages 5945.
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Shome S. Bhunia & Anil K. Saxena. (2021) Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors. Current Topics in Medicinal Chemistry 21:4, pages 269-294.
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Beatriz Bueschbell, Carlos Barreto, António Preto, Anke Schiedel & Irina Moreira. (2019) A Complete Assessment of Dopamine Receptor- Ligand Interactions through Computational Methods. Molecules 24:7, pages 1196.
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Rohini K & Shanthi V. (2017) Discovery of Potent Neuraminidase Inhibitors Using a Combination of Pharmacophore-Based Virtual Screening and Molecular Simulation Approach. Applied Biochemistry and Biotechnology 184:4, pages 1421-1440.
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Ai Jing Li, Wei Xie, Ming Wang & Si Chuan Xu. (2017) Molecular Mechanism and Dynamics of S -Deoxyephedrine Moving through Molecular Channels within D 3 R . ACS Omega 2:12, pages 8896-8910.
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Ramin Ekhteiari Salmas, Philip Seeman, Busecan Aksoydan, Ismail Erol, Isik Kantarcioglu, Matthias Stein, Mine Yurtsever & Serdar Durdagi. (2017) Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking. ACS Chemical Neuroscience 8:6, pages 1404-1415.
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Mario Rossi, Irene Fasciani, Francesco Marampon, Roberto Maggio & Marco Scarselli. (2017) The First Negative Allosteric Modulator for Dopamine D 2 and D 3 Receptors, SB269652 May Lead to a New Generation of Antipsychotic Drugs . Molecular Pharmacology 91:6, pages 586-594.
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