Lagarias P - Search Results

1

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. J Chem Inf Model. 2019 Dec 23;59(12):5183-5197. doi: 10.1021/acs.jcim.9b00751. Epub 2019 Dec 3. J Chem Inf Model. 2019. PMID: 31725294

2

Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode.

Lagarias P, Vrontaki E, Lambrinidis G, Stamatis D, Convertino M, Ortore G, Mavromoustakos T, Klotz KN, Kolocouris A. Lagarias P, et al. J Chem Inf Model. 2018 Apr 23;58(4):794-815. doi: 10.1021/acs.jcim.7b00455. Epub 2018 Mar 19. J Chem Inf Model. 2018. PMID: 29485875

3

Structural Characterization of Agonist Binding to an A₃ Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments.

Stamatis D, Lagarias P, Barkan K, Vrontaki E, Ladds G, Kolocouris A. Stamatis D, et al. Among authors: lagarias p. J Med Chem. 2019 Oct 10;62(19):8831-8846. doi: 10.1021/acs.jmedchem.9b01164. Epub 2019 Sep 27. J Med Chem. 2019. PMID: 31502843

4

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. 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.

5

Pharmacological characterisation of novel adenosine A₃ receptor antagonists.

Barkan K, Lagarias P, Stampelou M, Stamatis D, Hoare S, Safitri D, Klotz KN, Vrontaki E, Kolocouris A, Ladds G. Barkan K, et al. Among authors: lagarias p. Sci Rep. 2020 Nov 27;10(1):20781. doi: 10.1038/s41598-020-74521-y. Sci Rep. 2020. PMID: 33247159 Free PMC article.

6

The L46P mutant confers a novel allosteric mechanism of resistance toward the influenza A virus M2 S31N proton channel blockers.

Musharrafieh R, Lagarias PI, Ma C, Tan GS, Kolocouris A, Wang J. Musharrafieh R, et al. Mol Pharmacol. 2019 Aug;96(2):148-157. doi: 10.1124/mol.119.116640. Epub 2019 Jun 7. Mol Pharmacol. 2019. PMID: 31175183 Free PMC article.

7

Ebselen, disulfiram, carmofur, PX-12, tideglusib, and shikonin are non-specific promiscuous SARS-CoV-2 main protease inhibitors.

Ma C, Hu Y, Townsend JA, Lagarias PI, Marty MT, Kolocouris A, Wang J. Ma C, et al. Among authors: lagarias pi. bioRxiv [Preprint]. 2020 Sep 16:2020.09.15.299164. doi: 10.1101/2020.09.15.299164. bioRxiv. 2020. Update in: ACS Pharmacol Transl Sci. 2020 Oct 09;3(6):1265-1277. doi: 10.1021/acsptsci.0c00130 PMID: 32995786 Free PMC article. Updated. Preprint.

8

Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors.

Ma C, Hu Y, Townsend JA, Lagarias PI, Marty MT, Kolocouris A, Wang J. Ma C, et al. Among authors: lagarias pi. ACS Pharmacol Transl Sci. 2020 Oct 9;3(6):1265-1277. doi: 10.1021/acsptsci.0c00130. eCollection 2020 Dec 11. ACS Pharmacol Transl Sci. 2020. PMID: 33330841 Free PMC article.

9

Molecular Dynamics Simulations on the Bioactive Molecule of hIAPP22-29 (NFGAILSS) and Rational Drug Design.

Lagarias P, Elkhou Y, Vedad J, Konstantinidi A, Profit AA, Kellici TF, Kolocouris A, Desamero RZB, Mavromoustakos T. Lagarias P, et al. Methods Mol Biol. 2018;1824:1-16. doi: 10.1007/978-1-4939-8630-9_1. Methods Mol Biol. 2018. PMID: 30039398

10

Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels.

Tzitzoglaki C, McGuire K, Lagarias P, Konstantinidi A, Hoffmann A, Fokina NA, Ma C, Papanastasiou IP, Schreiner PR, Vázquez S, Schmidtke M, Wang J, Busath DD, Kolocouris A. Tzitzoglaki C, et al. Among authors: lagarias p. ACS Chem Biol. 2020 Sep 18;15(9):2331-2337. doi: 10.1021/acschembio.0c00553. Epub 2020 Aug 27. ACS Chem Biol. 2020. PMID: 32786258 Free PMC article.

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