Papadopoulos MG - Search Results

1

Conformational Properties and Energetic Analysis of Aliskiren in Solution and Receptor Site.

Politi A, Leonis G, Tzoupis H, Ntountaniotis D, Papadopoulos MG, Grdadolnik SG, Mavromoustakos T. Politi A, et al. Among authors: papadopoulos mg. Mol Inform. 2011 Dec;30(11-12):973-85. doi: 10.1002/minf.201100077. Epub 2011 Dec 1. Mol Inform. 2011. PMID: 27468152

2

Docking and Molecular Dynamics Calculations of Pyrrolidinone Analog MMK16 Bound to COX and LOX Enzymes.

Neophytou N, Leonis G, Stavrinoudakis N, Simčič M, Grdadolnik SG, Papavassilopoulou E, Michas G, Moutevelis-Minakakis P, Papadopoulos MG, Zing M, Mavromoustakos T. Neophytou N, et al. Among authors: papadopoulos mg. Mol Inform. 2011 May 16;30(5):473-86. doi: 10.1002/minf.201000131. Epub 2011 May 5. Mol Inform. 2011. PMID: 27467091

3

Comparative study of interactions of aliskiren and AT1 receptor antagonists with lipid bilayers.

Sadeghpour A, Rappolt M, Ntountaniotis D, Chatzigeorgiou P, Viras K, Megariotis G, Papadopoulos MG, Siapi E, Mali G, Mavromoustakos T. Sadeghpour A, et al. Among authors: papadopoulos mg. Biochim Biophys Acta. 2015 Apr;1848(4):984-94. doi: 10.1016/j.bbamem.2014.12.004. Epub 2014 Dec 19. Biochim Biophys Acta. 2015. PMID: 25534713 Free article.

4

Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors.

Durdagi S, Reis H, Papadopoulos MG, Mavromoustakos T. Durdagi S, et al. Among authors: papadopoulos mg. Bioorg Med Chem. 2008 Aug 1;16(15):7377-87. doi: 10.1016/j.bmc.2008.06.019. Epub 2008 Jun 14. Bioorg Med Chem. 2008. PMID: 18595717

5

Antihypertensive drug valsartan in solution and at the AT1 receptor: conformational analysis, dynamic NMR spectroscopy, in silico docking, and molecular dynamics simulations.

Potamitis C, Zervou M, Katsiaras V, Zoumpoulakis P, Durdagi S, Papadopoulos MG, Hayes JM, Grdadolnik SG, Kyrikou I, Argyropoulos D, Vatougia G, Mavromoustakos T. Potamitis C, et al. Among authors: papadopoulos mg. J Chem Inf Model. 2009 Mar;49(3):726-39. doi: 10.1021/ci800427s. J Chem Inf Model. 2009. PMID: 19256500

6

Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations.

Tzoupis H, Leonis G, Durdagi S, Mouchlis V, Mavromoustakos T, Papadopoulos MG. Tzoupis H, et al. Among authors: papadopoulos mg. J Comput Aided Mol Des. 2011 Oct;25(10):959-76. doi: 10.1007/s10822-011-9475-4. Epub 2011 Oct 4. J Comput Aided Mol Des. 2011. PMID: 21969102

7

Dual inhibitors for aspartic proteases HIV-1 PR and renin: advancements in AIDS-hypertension-diabetes linkage via molecular dynamics, inhibition assays, and binding free energy calculations.

Tzoupis H, Leonis G, Megariotis G, Supuran CT, Mavromoustakos T, Papadopoulos MG. Tzoupis H, et al. Among authors: papadopoulos mg. J Med Chem. 2012 Jun 28;55(12):5784-96. doi: 10.1021/jm300180r. Epub 2012 Jun 18. J Med Chem. 2012. PMID: 22621689

8

Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site.

Varvarigou N, Megariotis G, Leonis G, Vrontaki E, Maniati AM, Vlachou M, Eikosipentaki A, Kompogennitaki R, Papadopoulos MG, Grdadolnik SG, Komiotis D, Mavromoustakos T, Tsotinis A. Varvarigou N, et al. Among authors: papadopoulos mg. Bioorg Med Chem. 2012 Nov 1;20(21):6276-84. doi: 10.1016/j.bmc.2012.09.012. Epub 2012 Sep 15. Bioorg Med Chem. 2012. PMID: 23040892

9

A contribution to the drug resistance mechanism of darunavir, amprenavir, indinavir, and saquinavir complexes with HIV-1 protease due to flap mutation I50V: a systematic MM-PBSA and thermodynamic integration study.

Leonis G, Steinbrecher T, Papadopoulos MG. Leonis G, et al. Among authors: papadopoulos mg. J Chem Inf Model. 2013 Aug 26;53(8):2141-53. doi: 10.1021/ci4002102. Epub 2013 Jul 24. J Chem Inf Model. 2013. PMID: 23834142

10

Systematic molecular dynamics, MM-PBSA, and ab initio approaches to the saquinavir resistance mechanism in HIV-1 PR due to 11 double and multiple mutations.

Tzoupis H, Leonis G, Avramopoulos A, Mavromoustakos T, Papadopoulos MG. Tzoupis H, et al. Among authors: papadopoulos mg. J Phys Chem B. 2014 Aug 14;118(32):9538-52. doi: 10.1021/jp502687q. Epub 2014 Jul 31. J Phys Chem B. 2014. PMID: 25036111

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