Durdagi S - Search Results

1

Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach.

Zervou M, Cournia Z, Potamitis C, Patargias G, Durdagi S, Grdadolnik SG, Mavromoustakos T. Zervou M, et al. Among authors: durdagi s. Biochim Biophys Acta. 2014 Mar;1838(3):1031-46. doi: 10.1016/j.bbamem.2013.12.012. Epub 2013 Dec 27. Biochim Biophys Acta. 2014. PMID: 24374319 Free article.

2

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. J Med Chem. 2007 Jun 14;50(12):2875-85. doi: 10.1021/jm0610705. Epub 2007 May 24. J Med Chem. 2007. PMID: 17521177

3

Combined 3D QSAR and molecular docking studies to reveal novel cannabinoid ligands with optimum binding activity.

Durdagi S, Papadopoulos MG, Papahatjis DP, Mavromoustakos T. Durdagi S, et al. Bioorg Med Chem Lett. 2007 Dec 15;17(24):6754-63. doi: 10.1016/j.bmcl.2007.10.044. Epub 2007 Oct 17. Bioorg Med Chem Lett. 2007. PMID: 17980589

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. 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

3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors.

Durdagi S, Mavromoustakos T, Papadopoulos MG. Durdagi S, et al. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6283-9. doi: 10.1016/j.bmcl.2008.09.107. Epub 2008 Oct 8. Bioorg Med Chem Lett. 2008. PMID: 18951793

6

3D QSAR/CoMFA and CoMSIA studies on antileukemic steroidal esters coupled with conformationally flexible nitrogen mustards.

Kapou A, Benetis NP, Durdagi S, Nikolaropoulos S, Mavromoustakos T. Kapou A, et al. Among authors: durdagi s. J Chem Inf Model. 2008 Nov;48(11):2254-64. doi: 10.1021/ci800240m. J Chem Inf Model. 2008. PMID: 18954137

7

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. 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

8

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: durdagi s. J Chem Inf Model. 2009 Mar;49(3):726-39. doi: 10.1021/ci800427s. J Chem Inf Model. 2009. PMID: 19256500

9

Application of 3D QSAR CoMFA/CoMSIA and in silico docking studies on novel renin inhibitors against cardiovascular diseases.

Politi A, Durdagi S, Moutevelis-Minakakis P, Kokotos G, Papadopoulos MG, Mavromoustakos T. Politi A, et al. Among authors: durdagi s. Eur J Med Chem. 2009 Sep;44(9):3703-11. doi: 10.1016/j.ejmech.2009.03.040. Epub 2009 Apr 8. Eur J Med Chem. 2009. PMID: 19410337

10

A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis.

Durdagi S, Papadopoulos MG, Zoumpoulakis PG, Koukoulitsa C, Mavromoustakos T. Durdagi S, et al. Mol Divers. 2010 May;14(2):257-76. doi: 10.1007/s11030-009-9166-4. Epub 2009 Jun 18. Mol Divers. 2010. PMID: 19536636

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