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Discovery of a High Affinity Adenosine A1/A3 Receptor Antagonist with a Novel 7-Amino-pyrazolo[3,4-d]pyridazine Scaffold.
Suchankova A, Stampelou M, Koutsouki K, Pousias A, Dhingra L, Barkan K, Pouli N, Marakos P, Tenta R, Kolocouris A, Lougiakis N, Ladds G. Suchankova A, et al. Among authors: barkan k. ACS Med Chem Lett. 2022 May 31;13(6):923-934. doi: 10.1021/acsmedchemlett.2c00052. eCollection 2022 Jun 9. ACS Med Chem Lett. 2022. PMID: 35707146 Free PMC article.
Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations.
Stampelou M, Suchankova A, Tzortzini E, Dhingra L, Barkan K, Lougiakis N, Marakos P, Pouli N, Ladds G, Kolocouris A. Stampelou M, et al. Among authors: barkan k. J Med Chem. 2022 Oct 13;65(19):13305-13327. doi: 10.1021/acs.jmedchem.2c01123. Epub 2022 Sep 29. J Med Chem. 2022. PMID: 36173355
Deciphering the Agonist Binding Mechanism to the Adenosine A1 Receptor.
Deganutti G, Barkan K, Preti B, Leuenberger M, Wall M, Frenguelli BG, Lochner M, Ladds G, Reynolds CA. Deganutti G, et al. Among authors: barkan k. ACS Pharmacol Transl Sci. 2021 Jan 21;4(1):314-326. doi: 10.1021/acsptsci.0c00195. eCollection 2021 Feb 12. ACS Pharmacol Transl Sci. 2021. PMID: 33615181 Free PMC article.
Multisite Model of Allosterism for the Adenosine A1 Receptor.
Deganutti G, Barkan K, Ladds G, Reynolds CA. Deganutti G, et al. Among authors: barkan k. J Chem Inf Model. 2021 Apr 26;61(4):2001-2015. doi: 10.1021/acs.jcim.0c01331. Epub 2021 Mar 29. J Chem Inf Model. 2021. PMID: 33779168
Correction to Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
Lagarias P, Barkan K, Tzortzini E, Stampelou M, Vrontaki E, Ladds G, Kolocouris A. Lagarias P, et al. Among authors: barkan k. J Chem Inf Model. 2020 Apr 27;60(4):2405-2406. doi: 10.1021/acs.jcim.0c00240. Epub 2020 Mar 25. J Chem Inf Model. 2020. PMID: 32208618 No abstract available.
17 results