Murcia M - Search Results

1

Computational approaches to model ligand selectivity in drug design.

Ortiz AR, Gomez-Puertas P, Leo-Macias A, Lopez-Romero P, Lopez-Viñas E, Morreale A, Murcia M, Wang K. Ortiz AR, et al. Among authors: murcia m. Curr Top Med Chem. 2006;6(1):41-55. doi: 10.2174/156802606775193338. Curr Top Med Chem. 2006. PMID: 16454757 Review.

2

Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors.

Murcia M, Ortiz AR. Murcia M, et al. J Med Chem. 2004 Feb 12;47(4):805-20. doi: 10.1021/jm030137a. J Med Chem. 2004. PMID: 14761183

3

Comparative binding energy analysis considering multiple receptors: a step toward 3D-QSAR models for multiple targets.

Murcia M, Morreale A, Ortiz AR. Murcia M, et al. J Med Chem. 2006 Oct 19;49(21):6241-53. doi: 10.1021/jm060350h. J Med Chem. 2006. PMID: 17034130

4

Gaussian mapping of chemical fragments in ligand binding sites.

Wang K, Murcia M, Constans P, Pérez C, Ortiz AR. Wang K, et al. Among authors: murcia m. J Comput Aided Mol Des. 2004 Feb;18(2):101-18. doi: 10.1023/b:jcam.0000030033.26053.40. J Comput Aided Mol Des. 2004. PMID: 15287697

5

Benzimidazole derivatives. 3. 3D-QSAR/CoMFA model and computational simulation for the recognition of 5-HT(4) receptor antagonists.

López-Rodríguez ML, Murcia M, Benhamú B, Viso A, Campillo M, Pardo L. López-Rodríguez ML, et al. Among authors: murcia m. J Med Chem. 2002 Oct 24;45(22):4806-15. doi: 10.1021/jm020807x. J Med Chem. 2002. PMID: 12383006

6

5-HT(4) receptor antagonists: structure-affinity relationships and ligand-receptor interactions.

López-Rodriguez ML, Benhamú B, Morcillo MJ, Murcia M, Viso A, Campillo M, Pardob L. López-Rodriguez ML, et al. Among authors: murcia m. Curr Top Med Chem. 2002 Jun;2(6):625-41. doi: 10.2174/1568026023393769. Curr Top Med Chem. 2002. PMID: 12052197 Review.

7

3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor.

López-Rodríguez ML, Murcia M, Benhamú B, Viso A, Campillo M, Pardo L. López-Rodríguez ML, et al. Among authors: murcia m. Bioorg Med Chem Lett. 2001 Nov 5;11(21):2807-11. doi: 10.1016/s0960-894x(01)00517-0. Bioorg Med Chem Lett. 2001. PMID: 11597405

8

Synthesis and structure-activity relationships of a new model of arylpiperazines. 3.1 2-[omega-(4-arylpiperazin-1-yl)alkyl]perhydropyrrolo- [1,2-c]imidazoles and -perhydroimidazo[1,5-a]pyridines: study of the influence of the terminal amide fragment on 5-HT1A affinity/selectivity.

López-Rodríguez ML, Morcillo MJ, Fernández E, Porras E, Murcia M, Sanz AM, Orensanz L. López-Rodríguez ML, et al. Among authors: murcia m. J Med Chem. 1997 Aug 1;40(16):2653-6. doi: 10.1021/jm970216k. J Med Chem. 1997. PMID: 9258372

9

Benzimidazole derivatives. Part 1: Synthesis and structure-activity relationships of new benzimidazole-4-carboxamides and carboxylates as potent and selective 5-HT4 receptor antagonists.

López-Rodríguez ML, Benhamú B, Viso A, Morcillo MJ, Murcia M, Orensanz L, Alfaro MJ, Martín MI. López-Rodríguez ML, et al. Among authors: murcia m. Bioorg Med Chem. 1999 Nov;7(11):2271-81. doi: 10.1016/s0968-0896(99)00172-8. Bioorg Med Chem. 1999. PMID: 10632037

10

Benzimidazole derivatives. 4. The recognition of the voluminous substituent attached to the basic amino group of 5-HT4 receptor antagonists.

López-Rodríguez ML, Benhamú B, Murcia M, Alvaro E, Campillo M, Pardo L. López-Rodríguez ML, et al. Among authors: murcia m. J Comput Aided Mol Des. 2003 Aug;17(8):515-24. doi: 10.1023/b:jcam.0000004601.34056.c1. J Comput Aided Mol Des. 2003. PMID: 14703122

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