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Journal of Biomolecular Structure and Dynamics Volume 36, 2018 - Issue 10

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Research Article

A QM protein–ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R)

Ramin Ekhteiari SalmasDepartment of Chemistry, Istanbul Technical University, Istanbul, Turkey

http://orcid.org/0000-0003-3888-5070

Yusuf Serhat IsDepartment of Chemistry, Istanbul Technical University, Istanbul, Turkey;Vocational School Department of Chemistry Technology, Istanbul Gedik University, Istanbul, Turkey

Serdar DurdagiComputational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul, Turkey

http://orcid.org/0000-0002-0426-0905

Matthias SteinMolecular Simulations and Design Group, Max-Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, GermanyCorrespondence[email protected]

http://orcid.org/0000-0001-7793-0052

Mine YurtseverDepartment of Chemistry, Istanbul Technical University, Istanbul, TurkeyCorrespondence[email protected]

http://orcid.org/0000-0001-6504-7182

Pages 2668-2677 | Received 11 Jul 2017, Accepted 01 Aug 2017, Published online: 22 Aug 2017

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https://doi.org/10.1080/07391102.2017.1365772
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Citations (6)

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S. Sevvanthi, S. Muthu, S. Aayisha, P. Ramesh & M. Raja. (2020) Spectroscopic (FT-IR, FT-Raman and UV-Vis), computational (ELF, LOL, NBO, HOMO-LUMO, Fukui, MEP) studies and molecular docking on benzodiazepine derivatives- heterocyclic organic arenes. Chemical Data Collections 30, pages 100574.
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Giovanni Ribaudo, Marco Bortoli, Chiara Pavan, Giuseppe Zagotto & Laura Orian. (2020) Antioxidant Potential of Psychotropic Drugs: From Clinical Evidence to In Vitro and In Vivo Assessment and toward a New Challenge for in Silico Molecular Design. Antioxidants 9:8, pages 714.
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Ana Martínez, Ilich A. Ibarra & Rubicelia Vargas. (2019) A quantum chemical approach representing a new perspective concerning agonist and antagonist drugs in the context of schizophrenia and Parkinson’s disease. PLOS ONE 14:12, pages e0224691.
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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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Gabriela Bitencourt-Ferreira & Walter Filgueira de AzevedoJr.Jr.. 2019. Docking Screens for Drug Discovery. Docking Screens for Drug Discovery 109 124 .

Gabriela Bitencourt-Ferreira, Martina Veit-Acosta & Walter Filgueira de AzevedoJr.Jr.. 2019. Docking Screens for Drug Discovery. Docking Screens for Drug Discovery 79 91 .

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