Gago F - Search Results

1

Comparative binding energy (COMBINE) analysis of human neutrophil elastase inhibition by pyridone-containing trifluoromethylketones.

Cuevas C, Pastor M, Pérez C, Gago F. Cuevas C, et al. Among authors: gago f. Comb Chem High Throughput Screen. 2001 Dec;4(8):627-42. doi: 10.2174/1386207013330742. Comb Chem High Throughput Screen. 2001. PMID: 11812259

2

Reliability of comparative molecular field analysis models: effects of data scaling and variable selection using a set of human synovial fluid phospholipase A2 inhibitors.

Ortiz AR, Pastor M, Palomer A, Cruciani G, Gago F, Wade RC. Ortiz AR, et al. Among authors: gago f. J Med Chem. 1997 Mar 28;40(7):1136-48. doi: 10.1021/jm9601617. J Med Chem. 1997. PMID: 9089335

3

Assessment of solvation effects on calculated binding affinity differences: trypsin inhibition by flavonoids as a model system for congeneric series.

Checa A, Ortiz AR, de Pascual-Teresa B, Gago F. Checa A, et al. Among authors: gago f. J Med Chem. 1997 Dec 5;40(25):4136-45. doi: 10.1021/jm970245v. J Med Chem. 1997. PMID: 9406602

4

Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.

Pérez C, Pastor M, Ortiz AR, Gago F. Pérez C, et al. Among authors: gago f. J Med Chem. 1998 Mar 12;41(6):836-52. doi: 10.1021/jm970535b. J Med Chem. 1998. PMID: 9526559

5

Simulation of alternative binding modes in a structure-based QSAR study of HIV-1 protease inhibitors.

Pastor M, Pérez C, Gago F. Pastor M, et al. Among authors: gago f. J Mol Graph Model. 1997 Dec;15(6):364-71, 389. doi: 10.1016/s1093-3263(98)00007-2. J Mol Graph Model. 1997. PMID: 9704299

6

Abasic analogues of TSAO-T as the first sugar derivatives that specifically inhibit HIV-1 reverse transcriptase.

Velázquez S, Chamorro C, Pérez-Pérez MJ, Alvarez R, Jimeno ML, Martín-Domenech A, Pérez C, Gago F, De Clercq E, Balzarini J, San-Félix A, Camarasa MJ. Velázquez S, et al. Among authors: gago f. J Med Chem. 1998 Nov 5;41(23):4636-47. doi: 10.1021/jm980370m. J Med Chem. 1998. PMID: 9804703 Free article.

7

Regiospecific synthesis and anti-human immunodeficiency virus activity of novel 5-substituted N-alkylcarbamoyl and N,N-dialkylcarbamoyl 1,2,3-triazole-TSAO analogues.

Velázquez S, Alvarez R, Pérez C, Gago F, De Clercq E, Balzarini J, Camarasa MJ. Velázquez S, et al. Among authors: gago f. Antivir Chem Chemother. 1998 Nov;9(6):481-9. doi: 10.1177/095632029800900604. Antivir Chem Chemother. 1998. PMID: 9865386

8

Molecular model of the interaction between nimesulide and human cyclooxygenase-2.

García-Nieto R, Pérez C, Checa A, Gago F. García-Nieto R, et al. Among authors: gago f. Rheumatology (Oxford). 1999 May;38 Suppl 1:14-8. doi: 10.1093/rheumatology/38.suppl_1.14. Rheumatology (Oxford). 1999. PMID: 10369401 Review.

9

Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2).

García-Nieto R, Pérez C, Gago F. García-Nieto R, et al. Among authors: gago f. J Comput Aided Mol Des. 2000 Feb;14(2):147-60. doi: 10.1023/a:1008110924479. J Comput Aided Mol Des. 2000. PMID: 10721503

10

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands.

Lozano JJ, Pastor M, Cruciani G, Gaedt K, Centeno NB, Gago F, Sanz F. Lozano JJ, et al. Among authors: gago f. J Comput Aided Mol Des. 2000 May;14(4):341-53. doi: 10.1023/a:1008164621650. J Comput Aided Mol Des. 2000. PMID: 10815771

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