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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: papadopoulos mg. 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
The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2.
Durdagi S, Kapou A, Kourouli T, Andreou T, Nikas SP, Nahmias VR, Papahatjis DP, Papadopoulos MG, Mavromoustakos T. Durdagi S, et al. Among authors: papadopoulos mg. J Med Chem. 2007 Jun 14;50(12):2875-85. doi: 10.1021/jm0610705. Epub 2007 May 24. J Med Chem. 2007. PMID: 17521177
Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
Durdagi S, Mavromoustakos T, Chronakis N, Papadopoulos MG. Durdagi S, et al. Among authors: papadopoulos mg. Bioorg Med Chem. 2008 Dec 1;16(23):9957-74. doi: 10.1016/j.bmc.2008.10.039. Epub 2008 Oct 22. Bioorg Med Chem. 2008. PMID: 18996019
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
71 results