Melagraki G - Search Results

1

Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure.

Melagraki G, Afantitis A, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O. Melagraki G, et al. Bioorg Med Chem. 2007 Dec 1;15(23):7237-47. doi: 10.1016/j.bmc.2007.08.036. Epub 2007 Aug 25. Bioorg Med Chem. 2007. PMID: 17869118

2

QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices.

Melagraki G, Afantitis A, Sarimveis H, Igglessi-Markopoulou O, Supuran CT. Melagraki G, et al. Bioorg Med Chem. 2006 Feb 15;14(4):1108-14. doi: 10.1016/j.bmc.2005.09.038. Epub 2005 Oct 5. Bioorg Med Chem. 2006. PMID: 16213737

3

Prediction of toxicity using a novel RBF neural network training methodology.

Melagraki G, Afantitis A, Makridima K, Sarimveis H, Igglessi-Markopoulou O. Melagraki G, et al. J Mol Model. 2006 Feb;12(3):297-305. doi: 10.1007/s00894-005-0032-8. Epub 2005 Nov 8. J Mol Model. 2006. PMID: 16283121

4

A novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptors.

Melagraki G, Afantitis A, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O. Melagraki G, et al. J Mol Model. 2007;13(1):55-64. doi: 10.1007/s00894-006-0125-z. J Mol Model. 2007. PMID: 16738871

5

A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes.

Afantitis A, Melagraki G, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O. Afantitis A, et al. Among authors: melagraki g. Bioorg Med Chem. 2006 Oct 1;14(19):6686-94. doi: 10.1016/j.bmc.2006.05.061. Epub 2006 Jun 16. Bioorg Med Chem. 2006. PMID: 16782350

6

Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques.

Afantitis A, Melagraki G, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O. Afantitis A, et al. Among authors: melagraki g. J Comput Aided Mol Des. 2006 Feb;20(2):83-95. doi: 10.1007/s10822-006-9038-2. Epub 2006 May 9. J Comput Aided Mol Des. 2006. PMID: 16783600 Free article.

7

A novel RBF neural network training methodology to predict toxicity to Vibrio fischeri.

Melagraki G, Afantitis A, Sarimveis H, Igglessi-Markopoulou O, Alexandridis A. Melagraki G, et al. Mol Divers. 2006 May;10(2):213-21. doi: 10.1007/s11030-005-9008-y. Epub 2006 Jun 27. Mol Divers. 2006. PMID: 16802064

8

A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis.

Afantitis A, Melagraki G, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O. Afantitis A, et al. Among authors: melagraki g. Mol Divers. 2006 Aug;10(3):405-14. doi: 10.1007/s11030-005-9012-2. Epub 2006 Aug 1. Mol Divers. 2006. PMID: 16896545

9

Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening.

Melagraki G, Afantitis A, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O. Melagraki G, et al. J Comput Aided Mol Des. 2007 May;21(5):251-67. doi: 10.1007/s10822-007-9112-4. Epub 2007 Mar 22. J Comput Aided Mol Des. 2007. PMID: 17377847

10

Design and synthesis of novel quinolinone-3-aminoamides and their alpha-lipoic acid adducts as antioxidant and anti-inflammatory agents.

Detsi A, Bouloumbasi D, Prousis KC, Koufaki M, Athanasellis G, Melagraki G, Afantitis A, Igglessi-Markopoulou O, Kontogiorgis C, Hadjipavlou-Litina DJ. Detsi A, et al. Among authors: melagraki g. J Med Chem. 2007 May 17;50(10):2450-8. doi: 10.1021/jm061173n. Epub 2007 Apr 20. J Med Chem. 2007. PMID: 17444626

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