Leonis G - Search Results

1

Biological and computational evaluation of resveratrol inhibitors against Alzheimer's disease.

Koukoulitsa C, Villalonga-Barber C, Csonka R, Alexi X, Leonis G, Dellis D, Hamelink E, Belda O, Steele BR, Micha-Screttas M, Alexis MN, Papadopoulos MG, Mavromoustakos T. Koukoulitsa C, et al. Among authors: leonis g. J Enzyme Inhib Med Chem. 2016;31(1):67-77. doi: 10.3109/14756366.2014.1003928. Epub 2015 Jul 6. J Enzyme Inhib Med Chem. 2016. PMID: 26147348

2

Stability and binding effects of silver(I) complexes at lipoxygenase-1.

Vrontaki E, Leonis G, Avramopoulos A, Papadopoulos MG, Simčič M, Grdadolnik SG, Afantitis A, Melagraki G, Hadjikakou SK, Mavromoustakos T. Vrontaki E, et al. Among authors: leonis g. J Enzyme Inhib Med Chem. 2015;30(4):539-49. doi: 10.3109/14756366.2014.951348. Epub 2014 Nov 6. J Enzyme Inhib Med Chem. 2015. PMID: 25373502

3

Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations.

Vasilakaki S, Barbayianni E, Leonis G, Papadopoulos MG, Mavromoustakos T, Gelb MH, Kokotos G. Vasilakaki S, et al. Among authors: leonis g. Bioorg Med Chem. 2016 Apr 15;24(8):1683-95. doi: 10.1016/j.bmc.2016.02.040. Epub 2016 Mar 2. Bioorg Med Chem. 2016. PMID: 26970660 Free PMC article.

4

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: leonis g. 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

5

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: leonis g. J Med Chem. 2012 Jun 28;55(12):5784-96. doi: 10.1021/jm300180r. Epub 2012 Jun 18. J Med Chem. 2012. PMID: 22621689

6

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: leonis g. 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

In a previous work, we systematically examined seven single mutations that are associated with saquinavir (SQV) resistance in HIV-1 protease (Tzoupis, H.; Leonis, G.; Mavromoustakos, T.; Papadopoulos, M. G. J. Chem. Theory Comput. 2013, 9, 1754-1764). ...Furt …

In a previous work, we systematically examined seven single mutations that are associated with saquinavir (SQV) resistance in HIV-1 protease …

7

Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays.

Tzoupis H, Leonis G, Avramopoulos A, Reis H, Czyżnikowska Ż, Zerva S, Vergadou N, Peristeras LD, Papavasileiou KD, Alexis MN, Mavromoustakos T, Papadopoulos MG. Tzoupis H, et al. Among authors: leonis g. J Mol Graph Model. 2015 Nov;62:138-149. doi: 10.1016/j.jmgm.2015.09.015. Epub 2015 Sep 25. J Mol Graph Model. 2015. PMID: 26421414

8

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. 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

9

A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes.

Leonis G, Avramopoulos A, Papavasileiou KD, Reis H, Steinbrecher T, Papadopoulos MG. Leonis G, et al. J Phys Chem B. 2015 Dec 3;119(48):14971-85. doi: 10.1021/acs.jpcb.5b05998. Epub 2015 Nov 18. J Phys Chem B. 2015. PMID: 26523956

10

A Comparative Molecular Dynamics, MM-PBSA and Thermodynamic Integration Study of Saquinavir Complexes with Wild-Type HIV-1 PR and L10I, G48V, L63P, A71V, G73S, V82A and I84V Single Mutants.

Tzoupis H, Leonis G, Mavromoustakos T, Papadopoulos MG. Tzoupis H, et al. Among authors: leonis g. J Chem Theory Comput. 2013 Mar 12;9(3):1754-64. doi: 10.1021/ct301063k. Epub 2013 Feb 20. J Chem Theory Comput. 2013. PMID: 26587633

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