Ortega-Castro J - Search Results

1

Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target.

Anandan S, Gowtham HG, Shivakumara CS, Thampy A, Singh SB, Murali M, Shivamallu C, Pradeep S, Shilpa N, Shati AA, Alfaifi MY, Elbehairi SEI, Ortega-Castro J, Frau J, Flores-Holguín N, Kollur SP, Glossman-Mitnik D. Anandan S, et al. Among authors: ortega castro j. Sci Rep. 2022 Dec 27;12(1):22446. doi: 10.1038/s41598-022-22038-x. Sci Rep. 2022. PMID: 36575224 Free PMC article.

2

DFT studies on Schiff base formation of vitamin B6 analogues. Reaction between a pyridoxamine-analogue and carbonyl compounds.

Ortega-Castro J, Adrover M, Frau J, Salvà A, Donoso J, Muñoz F. Ortega-Castro J, et al. J Phys Chem A. 2010 Apr 8;114(13):4634-40. doi: 10.1021/jp909156m. J Phys Chem A. 2010. PMID: 20235562

3

High- and low-spin Fe(III) complexes of various AGE inhibitors.

Ortega-Castro J, Frau J, Casasnovas R, Fernández D, Donoso J, Muñoz F. Ortega-Castro J, et al. J Phys Chem A. 2012 Mar 22;116(11):2961-71. doi: 10.1021/jp210188w. Epub 2012 Mar 13. J Phys Chem A. 2012. PMID: 22369344

4

C-H activation in pyridoxal-5'-phosphate Schiff bases: the role of the imine nitrogen. A combined experimental and computational study.

Casasnovas R, Adrover M, Ortega-Castro J, Frau J, Donoso J, Muñoz F. Casasnovas R, et al. J Phys Chem B. 2012 Sep 6;116(35):10665-75. doi: 10.1021/jp303678n. Epub 2012 Aug 27. J Phys Chem B. 2012. PMID: 22845654

5

C-H activation in pyridoxal-5'-phosphate and pyridoxamine-5'-phosphate Schiff bases: effect of metal chelation. A computational study.

Casasnovas R, Frau J, Ortega-Castro J, Donoso J, Muñoz F. Casasnovas R, et al. J Phys Chem B. 2013 Feb 28;117(8):2339-47. doi: 10.1021/jp311861p. Epub 2013 Feb 13. J Phys Chem B. 2013. PMID: 23387946

6

Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study.

Fernández D, Ortega-Castro J, Frau J. Fernández D, et al. J Comput Aided Mol Des. 2013 Aug;27(8):739-54. doi: 10.1007/s10822-013-9674-2. Epub 2013 Aug 24. J Comput Aided Mol Des. 2013. PMID: 23979193

7

Theoretical calculations of stability constants and pKa values of metal complexes in solution: application to pyridoxamine-copper(II) complexes and their biological implications in AGE inhibition.

Casasnovas R, Ortega-Castro J, Donoso J, Frau J, Muñoz F. Casasnovas R, et al. Phys Chem Chem Phys. 2013 Oct 14;15(38):16303-13. doi: 10.1039/c3cp50840d. Epub 2013 Sep 3. Phys Chem Chem Phys. 2013. PMID: 23999915

8

A DFT study of the carboxymethyl-phosphatidylethanolamine formation from glyoxal and phosphatidylethanolamine surface. Comparison with the formation of N(ε)-(carboxymethyl)lysine from glyoxal and L-lysine.

Solís-Calero C, Ortega-Castro J, Hernández-Laguna A, Frau J, Muñoz F. Solís-Calero C, et al. Phys Chem Chem Phys. 2015 Mar 28;17(12):8210-22. doi: 10.1039/c4cp05360e. Phys Chem Chem Phys. 2015. PMID: 25732867

9

Nonenzymatic Reactions above Phospholipid Surfaces of Biological Membranes: Reactivity of Phospholipids and Their Oxidation Derivatives.

Solís-Calero C, Ortega-Castro J, Frau J, Muñoz F. Solís-Calero C, et al. Oxid Med Cell Longev. 2015;2015:319505. doi: 10.1155/2015/319505. Epub 2015 Apr 21. Oxid Med Cell Longev. 2015. PMID: 25977746 Free PMC article. Review.

10

Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition.

Fernández D, Ortega-Castro J, Mariño L, Perelló J, Frau J. Fernández D, et al. J Comput Aided Mol Des. 2015 Jul;29(7):667-80. doi: 10.1007/s10822-015-9853-4. Epub 2015 Jun 17. J Comput Aided Mol Des. 2015. PMID: 26081258

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