Castro EA - Search Results

1

3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.

Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA. Ponce YM, et al. Among authors: castro ea. Bioorg Med Chem. 2004 Oct 15;12(20):5331-42. doi: 10.1016/j.bmc.2004.07.051. Bioorg Med Chem. 2004. PMID: 15388160

2

Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": application to QSPR/QSAR studies of organic compounds.

Ponce YM, Garit JA, Torrens F, Zaldivar VR, Castro EA. Ponce YM, et al. Among authors: castro ea. Molecules. 2004 Dec 31;9(12):1100-23. doi: 10.3390/91201100. Molecules. 2004. PMID: 18007507 Free PMC article.

3

Protein quadratic indices of the "macromolecular pseudograph's alpha-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability.

Ponce YM, Marrero RM, Castro EA, Ramos de Armas R, Díaz HG, Zaldivar VR, Torrens F. Ponce YM, et al. Among authors: castro ea. Molecules. 2004 Dec 31;9(12):1124-47. doi: 10.3390/91201124. Molecules. 2004. PMID: 18007508 Free PMC article. Review.

4

Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic.

Marrero-Ponce Y, Castillo-Garit JA, Olazabal E, Serrano HS, Morales A, Castañedo N, Ibarra-Velarde F, Huesca-Guillen A, Sánchez AM, Torrens F, Castro EA. Marrero-Ponce Y, et al. Among authors: castro ea. Bioorg Med Chem. 2005 Feb 15;13(4):1005-20. doi: 10.1016/j.bmc.2004.11.040. Bioorg Med Chem. 2005. PMID: 15670908

5

Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity.

Marrero-Ponce Y, Medina-Marrero R, Torrens F, Martinez Y, Romero-Zaldivar V, Castro EA. Marrero-Ponce Y, et al. Among authors: castro ea. Bioorg Med Chem. 2005 Apr 15;13(8):2881-99. doi: 10.1016/j.bmc.2005.02.015. Bioorg Med Chem. 2005. PMID: 15781398

6

Protein linear indices of the 'macromolecular pseudograph alpha-carbon atom adjacency matrix' in bioinformatics. Part 1: prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor.

Marrero-Ponce Y, Medina-Marrero R, Castillo-Garit JA, Romero-Zaldivar V, Torrens F, Castro EA. Marrero-Ponce Y, et al. Among authors: castro ea. Bioorg Med Chem. 2005 Apr 15;13(8):3003-15. doi: 10.1016/j.bmc.2005.01.062. Bioorg Med Chem. 2005. PMID: 15781410

7

Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents.

Marrero-Ponce Y, Marrero RM, Torrens F, Martinez Y, Bernal MG, Zaldivar VR, Castro EA, Abalo RG. Marrero-Ponce Y, et al. Among authors: castro ea. J Mol Model. 2006 Feb;12(3):255-71. doi: 10.1007/s00894-005-0024-8. Epub 2005 Nov 4. J Mol Model. 2006. PMID: 16270182

8

TOMOCOMD-CARDD, a novel approach for computer-aided 'rational' drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds.

Marrero-Ponce Y, Castillo-Garit JA, Olazabal E, Serrano HS, Morales A, Castañedo N, Ibarra-Velarde F, Huesca-Guillen A, Jorge E, del Valle A, Torrens F, Castro EA. Marrero-Ponce Y, et al. Among authors: castro ea. J Comput Aided Mol Des. 2004 Oct;18(10):615-34. doi: 10.1007/s10822-004-5171-y. J Comput Aided Mol Des. 2004. PMID: 15849993

9

Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds.

Fernández M, Caballero J, Helguera AM, Castro EA, González MP. Fernández M, et al. Among authors: castro ea. Bioorg Med Chem. 2005 May 2;13(9):3269-77. doi: 10.1016/j.bmc.2005.02.038. Bioorg Med Chem. 2005. PMID: 15809162

10

QSAR prediction of inhibition of aldose reductase for flavonoids.

Mercader AG, Duchowicz PR, Fernández FM, Castro EA, Bennardi DO, Autino JC, Romanelli GP. Mercader AG, et al. Among authors: castro ea. Bioorg Med Chem. 2008 Aug 1;16(15):7470-6. doi: 10.1016/j.bmc.2008.06.004. Epub 2008 Jun 10. Bioorg Med Chem. 2008. PMID: 18585047

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