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LÍNEA DE INVESTIGACIÓN EN ESTRUCTURA ELECTRÓNICA DE SISTEMAS DE INTERÉS BIOLÓGICO

RESPONSABLE
Dra. Catalina Soriano Correa

Prof. de Carrera Titular “C”, Tiempo Completo definitivo

Teléfono: 55 5773 6333
Correo electrónico: csorico@comunidad.unam.mx

LUI-FESZ-200506

UBICACIÓN
FES Zaragoza, Campus II, edificio A5, cubículo A508-B. Batalla 5 de mayo S/N. Ejército de Oriente. Alcaldía de Iztapalapa. Ciudad de México CP09230.

INTEGRANTES

• Dra. Carolina Barrientos Salcedo
• M.C. Linda Verónica Campos Fernández

PRODUCCIÓN CIENTÍFICA

1.- Substituent effects on the stability, physicochemical properties and chemical reactivity of nitroimidazole derivatives with potential antiparasitic effect: a computational study L. Campos-Fernández, C. Barrientos-Salcedo, E.E. Herrera Valencia, R. Ortiz-Muñiz, C. Soriano-Correa. New J. Chem. 43 (2019) 11125-11134. ISSN‎: ‎1144-0546 (print); 1369-9261 (web). DOI: 10.1039/c9nj02207d

2.- Computational study of substituent effects on the physicochemical properties and chemical reactivity of selected antiparasitic 5-nitrofurans. C. Barrientos- Salcedo, B. Espinoza, C. Soriano-Correa. J. Mol. Struct. 1173, (2018) 92-99. ISSN: 0022-2860. DOI: 10.1016/j.molstruc.2018.06.089.

3.- Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides. C. Soriano-Correa, C.

Barrientos-Salcedo, M. Francisco-Márquez, C. Ignacio Sainz-Díaz. J. Mol. Graph. & Model. 81 (2018) 116-124. ISSN: 1093-3263. DOI: 10.1016/j.jmgm.2018.02.006.

4.- Polymorphism, Intermolecular Interactions, and spectroscopic properties in Crystal Structures of Sulfonamides. C. Ignacio Sainz-Díaz, M. Francisco-Márquez, C. Soriano-Correa. J. Pharma. Sci. 107 (2018) 273-285. ISSN: 0022-3549. DOI: 10.1016/j.xphs.2017.10.015 ̧ https://doi.org/10.1016/j.xphs.2017.10.015

5.- Adsorption of Sulfonamides on Phyllosilicate Surfaces by Molecular Modeling Calculations. M. Francisco-Márquez, C. Soriano-Correa, C.I. Sainz-Diaz. J. Phys. Chem. C. 121 (2017) 2905-2914. Print Edition ISSN: 1932-7447. ISSN: 1932-7455. DOI: 10.1021/acs.jpcc.6b12467.

6.- Study of the Chemical Space of selected Bacteriostatic Sulfonamides from an information-theoretical point of view. S. López-Rosa, M. Molina-Espíritu, R.O. Esquivel, C. Soriano-Correa, J.S. Dehesa. ChemPhysChem: 17 (2016) 4003-4010. Online ISSN:1439-7641. DOI: 10.1002/cphc.201600790.

7.- Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis. R.O. Esquivel, M. Molina-Espíritu, S. López-Rosa, C. Soriano-Correa, C. Barrientos-Salcedo, M. Kohout, J. Dehesa. ChemPhysChem. 16 (2015) 2571-2581. ISSN:1439-7641 (Online). ISSN: 1439-4235 (print). DOI: 10.1002/cphc.201500282.

8.- Importance of asparagine on the conformational stability and chemical reactivity of selected anti-inflammatory peptides. C. Soriano-Correa, C. Barrientos- Salcedo, L. Campos-Fernández, A. Alvarado-Salazar, R.O. Esquivel. Chem. Phys. 457 (2015) 180-187. ISSN: 0301-0104. http://dx.doi.org/10.1016/j.chemphys.2015.06.005.

9.- Influence of the physicochemical and aromatic properties on the chemical reactivity and its relation with carcinogenic and anticoagulant effect of 17- aminoestrogens. C. Soriano-Correa, A. Raya, C. Barrientos-Salcedo, R.O. Esquivel. Chem. Phys. 348 (2014) 48-59. ISSN: 0301-0104. http://dx.doi.org/10.1016/j.chemphys.2014.04.012.

10.- Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride. M. Molina-Espíritu, R.O. Esquive, M. Kohout, J.C. Angulo, J.A. Dobado, J.S. Dehesa, S. López-Rosa, C. Soriano-Correa. J. Mol Model, 20:2361, 2014. ISSN:1610-2940. DOI: 10.1007/s00894-014-2361.

11.-Oxidation Mechanism of Methionine by HO Radical: A Theoretical Study. T. Marino, C. Soriano-Correa, N. Russo. J. Phys. Chem. B. 116 (2012) 5349-5354. ISSN: 1520-6106. DOI: 10.1021/jp3000398.

12.- Electronic structure evaluation through quantum chemical descriptors of 17-aminoestrogens with an anticoagulant effect. A. Raya, C. Barrientos-Salcedo, C. Rubio-Póo, C. Soriano-Correa. Eur. J. Med. Chem. 46 (2011) 2463-2468. ISSN: 0223-5234. DOI:10.1016/j.ejmech.2011.03.032.

13.- The influence of electron donor and electron acceptor groups on the electronic structure of the anti-inflammatory tripeptide Cys-Asn-Ser. C. Soriano- Correa, C. Barrientos-Salcedo, A. Raya, C. Rubio-Póo, R.O. Esquivel. Int. J. Quant. Chem. 110 (2010) 2398-2410. Online ISSN:1097-461X. DOI: 10.1002/qua.22673

14.-Theoretical Study of the Competition between Intramolecular Hydrogen Bonds and Solvation in the Cys-Asn-Ser Tripeptide. C. Soriano-Correa, F.J. Olivares del Valle, A. Muñoz-Losa, I. Fdez.-Galván, E. Martín, M.A. Aguilar. J. Phys. Chem. B, 114 (2010) 8961-8970. Web Edition ISSN: 1520-5207. https://doi.org/10.1021/jp1035162

15.- Ab initio study of selected PAMAM Dendrimers: von Neumann entropies analysis. R.O. Esquivel, N. Flores-Gallegos, E. Carrera, C. Soriano-Correa. J. Nano Research, 9 (2010) 1-15. ISSN:1661-9897. DOI: 10.4028/www.scientific.net/JNanoR.9.1

16.- Computational study of the electronic structure characterization of a novel anti-inflammatory tripeptide derived from MLIF-Pentapeptide. C. Barrientos- Salcedo, J.A. Giménez-Scherer, G. Rico-Rosillo, C. Soriano-Correa. Eur. J. Med. Chem. 44 (2009) 3114-3119. ISSN: 0223-5234. http://dx.doi.org/10.1016/j.ejmech.2009.03.003

17.- Theoretic-information entropies analysis of nanostructures: ab initio study of PAMAM precursors and dendrimers G0 to G3. R.O. Esquivel, N. Flores-Gallegos, E.M. Carrera, J.S. Dehesa, J.C. Angulo, J. Antolín, C. Soriano-Correa. Molecular Simulation, 35 (2009) 498-511. ISSN: 1029-0435 (Online) DOI: 10.1080/08927020902833087. http://dx.doi.org/10.1080/08927020902833087

18.- Characterization of Electronic Structure and Physicochemical Properties of Antiparasitic Nifurtimox Analogues: A Theoretical Study. C. Soriano-Correa, A. Raya, R. O. Esquivel. Int. J. Quant. Chem. 108 (2008) 1369-1379. Online ISSN:1097- 461X. DOI: 10.1002/qua.21633

19.- The Cys-Asn-Ser Carboxyl-terminal end group is the pharmacophore of the amebic anti-inflammatory monocyte locomotion inhibitory factor (MLIF). M.E. Morales, R. Silva, C. Soriano-Correa, J.F. Sánchez-Ruiz, J.A. Giménez-Scherer, S. Rojas, F. Blanco-Favela, G. Rico-Rosillo. Molecular & Biochemical Parasitology, 158 (2008) 46-51. ISSN: 0166-6851. https://doi.org/10.1016/j.molbiopara.2007.11.010

20.- Electronic Structure and Physicochemical Properties Characterization of the Amino Acids 12-26 of TP53: A Theoretical Study. C. Barrientos-Salcedo, D. Arenas- Aranda, F. Salamanca-Gómez, R. Ortiz-Muñiz, C. Soriano-Correa. J. Phys Chem. A, 111 (2007) 4362-4369. Web Edition ISSN: 1520-5215. DOI: 10.1021/jp067841y

21.- Electronic Structure and Physicochemical Properties of Selected Penicillin.

C. Soriano-Correa, J.F. Sánchez-Ruiz, A. Raya, R.O. Esquivel. Int. J. Quant. Chem. 107 (2007) 628-636. Online ISSN:1097-461X. DOI: 10.1002/qua.21165.

22.- Electronic structure and physicochemical properties of the anti- inflammatory pentapeptide produced by Entamoeba histolytica: Theoretical Study. C. Soriano-Correa, J.F. Sánchez-Ruiz, G. Rico-Rosillo, J.A. Jiménez-Scherer, J.R. Velasquez, R.R. Kretchmer. Journal of Molecular Structure: Theochem 769 (2006) 91-95. http://dx.doi.org/10.1016/j.theochem.2006.02.031

23.- Electronic and Physicochemical Properties of Selected Nitrofurans: A Theoretical Study. C. Soriano-Correa, A. Raya, J.F. Sánchez Ruiz, R.O. Esquivel. Int. J. Quant. of Chem. 104 (2005) 491-496. ISSN: Online ISSN:1097-461X. DOI: 10.1002/qua.20625.

24.- Physicochemical and Structural Properties of Bacteriostatic Sulfonamides: Theoretical Study. C. Soriano-Correa, R.O. Esquivel, R.P. Sagar. Int. Quant. of Chem. 94 (2003)165-172. ISSN: Online ISSN:1097-461X. DOI: 10.1002/qua.10597

25.- Cálculos ab initio de agentes anti-lepra comparando sus estructuras y propiedades fisicoquímicas con un conjunto de compuestos análogos. C. Soriano, R.O. Esquivel, R.P. Sagar. REVISTA MEXICANA DE FÍSICA 46 (2000) 108- 112 SUPPL. 2. http://rmf.smf.mx/pdf/rmf-s/46/2/46_2_108.pdf

26.- Jayne’s information entropy of small molecules: Numerical evidence of the Collins conjecture. J.C. Ramírez, C. Soriano, R.O. Esquivel, R.P. Sagar. Phys Rev. A. 56 (1997) 4477-4482. ISSN: 2469-9934 (online). DOI:https://doi.org/10.1103/PhysRevA.56.4477.

27.- Charge transfer in organic electron conductors with coordination complexes determined by infrared absorption spectroscopy. J.G. Robles-Martínez, A. Salmerón-Valverde, E. Alonso, C. Soriano, A. Zehe. Inorganica Chimica Acta. 179 (1991) 149-150. ISSN: 0020-1693. DOI:10.1016/S0020-1693(00)85869-7 https://doi.org/10.1016/S0020-1693(00)85869-7

28.- Preparation and Optical Absorption Properties of one-dimensional Organic Electron Conductors. J.G. Robles-Martínez, A. Salmerón-Valverde, C. Soriano, E. Alonso and A. Zehe. Cryst. Research & Technology, 25 (1990) 1335-1341. ISSN:1521- 4079. DOI: 10.1002/crat.2170251119. https://doi.org/10.1002/crat.2170251119

1.- Information- theoretic Representation of the Chemical Space of many electron systems R.O. Esquivel, S. López-Rosa, M. Molina-Espíritu, C. Soriano-Correa, J.C. Angulo, J.S. Dehesa. In book: Frontiers in Computational Chemistry, Chapter 5, Vol. 3,

Publisher: 2017 Bentham eBooks; Bentham Science Publisher. Editors: Zaheer Ul-Haq and Jeffry D. Madura (Eds, pp.310-353. Zaheer Ul-Haq and Jeffry D. Madura (Eds.) eISBN: 978-1-68108-167-0 ISBN: 978-1-68108-168-7 ISSN: 2352-944X (Print) eISSN: 2352-9458 (Online)

2.- Diseño de moléculas para el diagnóstico y el tratamiento del cáncer y la enfermedad de Chagas. C. Barrientos-Salcedo, C. Soriano Correa, E.M. García Romero. Título del libro: Avances en la Investigación Biomédica en el estado de Veracruz, (Cáncer, C-3), 257-268, 2015. México. Editores: Mario Caba, Rossana C. Zepeda, Enrique Meza, Claudia Juárez Portilla. ISBN: 978-607-502-373-1.

3.- Decoding the Building Blocks of Life from the Perspective of Quantum Information. R.O. Esquivel, M. Molina-Espíritu, F. Salas, C. Soriano, C. Barrientos, J.S. Dehesa, J.C. Angulo. In book: Advances in Quantum Mechanics, (C-27), 641-669, 2013

Edited by Prof. Paul Bracken. Editorial: Intech. ISBN 978-953-51-1089-7. DOI: 10.5772/55160. http://dx.doi.org/10.5772/55160

4.- Quantum Information- Theoretical Analyses of Systems and Processes of Chemical and Nanotechnological Interest. R.O. Esquivel, E.M. Carrera, C. Iuga, M. Molina-Espíritu, J.C. Angulo, J.S. Dehesa, S. López-Rosa, J. Antolín., C. Soriano- Correa. In book: Quantum Mechanics/Book 3 (2012). Some Applications of Quantum Mechanics, (C-12), 297-334, 2012. Edited by Mohammad Reza Pahlavani. Editorial: Intech. Publisher, Croatia. ISBN 978-953-51-0059-1. DOI: 10.5772/2540

5.- Uses of the Average Solvent Potential Approach in the Study of Solvent Effects.
I. Fdez.-Galván, A. Muñoz-Loza, C. Soriano-Correa, M.L. Sánchez, M.E. Martín, M.A. Aguilar. In book: Advances in Quantum Chemistry, Vol. 59, (C-3), 59-97, 2010. Editorial: Elsevier. ISSN: 0065-3276. DOI: 10.1016/S0065-3276(10)59003-8

Presentada ante el Instituto Mexicano de la Propiedad Industrial (IMPI). “PÉPTIDO CON ACTIVIDAD ANTI CÁNCER Y CON SELECTIVIDAD A CÉLULAS DE CÁNCER DE MAMA”. Con número MX/a/2019014546, con fecha del 4 de diciembre de 2019.

Miembro del Sistema Nacional de Investigadores Nivel I