Dr. Sergio A. Aguila

Titular Researcher
Department of NANOSTRUCTURES
CNyN-UNAM
Tel: (646)175-0650, Ext. 413
aguila@cnyn.unam.mx

Curriculum Summary

Dr. Sergio Andrés Águila Puentes was born in Chillán city, XVI Ñuble region, Chile. He studied Food Engineering at the Faculty of Health and Food Sciences at the Universidad del Bío Bío, Chillán, Chile, and received it in 2002. Later, he moved to the Concepción city to study for the Master’s Degree in Chemical Sciences. In the Faculty of Chemistry Sciences of the Universidad de Concepción, ending in 2006. Between 2006 and 2010 he continued with his doctoral studies in Chemical Sciences in the same Institution. Finally, from 2010 to 2012 he was doing postdoctoral studies at the Institute of Biotechnology of the UNAM, Cuernavaca, Mor., Mexico.

In 2013 he joined the Center for Nanoscience and Nanotechnology (CNyN-UNAM), Ensenada, B.C. as Full Time Researcher.

He has participated in research projects, both national and international in the area of biocatalysis and molecular modeling (MM, QM and QM/MM), where to date he has published more than 30 scientific articles, has participated in more than 30 presentations at conferences, has directed 11 bachelor theses, 3 graduate and has taught more than 20 courses between undergraduate and graduate.

The main areas that Dr. Águila develops in his research with biocatalysis, the immobilization of enzymes in nanostructured supports and molecular simulations of biological systems.

Research Lines

In silico

– In silico study of the protein-ligand interaction for the search for new drugs.
– In silico study of protein-DNA and protein-lipids interactions with applications in nanomedicine.
– Computational chemistry calculations for the design of Gratzel-type solar cells.

In vitro

– Nanobiosensors development with environmental and biomedical applications.
– Metallic nanoparticles synthesis with environmental applications, agriculture, and nanomedicine.
– Study of biocatalytic oxidoreductase enzymes.

Research Projects

– In silico study on protein-ligand interaction to develop a search method for candidate compounds for application in nanomedicine, LANCAD-UNAM-DGTIC-286, Grant, 2017-2019.
– Electron transfer study of oxidoreductase type enzymes, SC16-1-IG-46 Grant, 2016-2017.
– Computational chemical study of the electron transfer routes in hydrogenases of psychrophilic organisms, National Center of Supercomputing, Mexican Network of Supercomputing, IPICYT-CONACYT Grant, 2015-2016.
– Immobilization of enzymes of the oxidoreductases type in magnetic nanoparticles and their application in environmental chemistry, 205466 Bilateral Cooperation Mexico-Chile Grant, 2014-2016.
– Study of the electron transfer of enzymes of the oxidoreductase type, SC15-1-IG-51 DGCTIC Grant, National Autonomous University of Mexico. 2015.
– Study of the electron transfer of enzymes of the oxidoreductase type, SC14-1-I-38 DGCTIC Grant, National Autonomous University of Mexico, 2014.
– Laccase from Coriolopsis gallica immobilized on nanostructured supports. Support Program for Innovation Projects and Technological Research, National Autonomous University of Mexico. (PAPIIT IB200613), Principal Investigator, 2013-2015.

Aguila’s Group Articles

2019

• Joel Ricci-López, Abraham Vidal-Limon, Matías Zuñiga, Verónica A. Jiménez, Joel B. Alderete, Carlos A. Brizuela, Sergio Aguila*, Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein (2019) PLoS ONE 14(3): e0213028. DOI: 10.1371/journal.pone.0213028
• Garcia–Garcia, W.I. ; Vidal-Limon, A. ; Arrocha–Arcos, A.A. ; Palomares, L.A. ; Ramirez, O.T. and Miranda–Hernández, M. (2019). Rotavirus VP6 protein as a bio-electrochemical scaffold: molecular dynamics and experimental electrochemistry. Bioelectrochemistry. 127:180-6. DOI: 1016/J.BIOELECHEM.2019.02.012
• Marlene N Cardoza-Contreras, Adrián Vásquez-Gallegos, Abraham Vidal-Limon, José M Romo-Herrera, Sergio Águila, Oscar E Contreras, Photocatalytic and Antimicrobial Properties of Ga Doped and Ag Doped ZnO Nanorods for Water Treatment (2019) Catalyst, 9, 165. DOI: 10.3390/catal9020165

2018

• Colin, J.A., Pech-Pech, I.E., Oviedo, M., Águila, S.A., Romo-Herrera, J.M., Contreras, O.E., Gold nanoparticles synthesis assisted by marine algae extract: Biomolecules shells from a green chemistry approach (2018) Chemical Physics Letters, 708, pp. 210-215. DOI: 10.1016/j.cplett.2018.08.022
• Rodriguez, J.R., Belman-Rodriguez, C., Aguila, S.A., Zhang, Y., Liu, H., Pol, V.G., Bismuth germanate (Bi4Ge3O12), a promising high-capacity lithium-ion battery anode (2018) Chemical Communications, 54 (81), pp. 11483-11486. DOI: 10.1039/c8cc05861j
• García Grajeda, B.A., Aguila, S.A., Peinado Guevara, H., Reynoso-Soto, E., Ochoa-Terán, A., Trujillo-Navarrete, B., Cruz Enríquez, A., Campos-Gaxiola, J.J., Colorimetric and rapid determination of Cr(III) ions in water samples using AuNPs modified with 11-mercaptoundecyl phosphonic acid: spectroscopic characterization and reaction mechanism (2018) Inorganic and Nano-Metal Chemistry. DOI: 10.1080/24701556.2018.1503680
• Jassiel R. Rodriguez, Carlos Belman-Rodriguez, Sergio A. Aguila, Yanning Zhang, Hongxian Liu, and Vilas G. Pol, Bismuth Germanate (Bi4Ge3O2), a Promising High-Capacity Lithium-ion Battery Anode (2018) ChemComm,
• IE Pech-Pech, Dominic Gervasio, SA Aguila, JF Perez-Robles, Electrocatalysis of oxygen reduction when varying the mass ratio of metal nanoparticles to carbon support for catalysts with a 10 to 10 to 80 mol% of Pt and Pd on Ag, International Journal of Hydrogen Energy, DOI: 10.1016/j.ijhydene.2018.06.086,  ISSN: 0360-3199,  2018, In press.
• C. Belman-Rodrígueza, Abraham M. Vidal-Limon, Oscar E. Contreras, M. J. Oviedo, Sergio A. Aguila*, Synthesis and characterization of BGO with different chelating compound by the polymeric precursor method and the effect on the luminescence properties, Ceramics International, 2018, DOI: 10.1016/j.ceramint.2018.05.229 ISSN: 0272-8842 In press (Impact Factor: 2.986, JCR).
• Colbes, J., Aguila, S.A., Brizuela, C.A., Scoring of Side-Chain Packings: An Analysis of Weight Factors and Molecular Dynamics Structures (2018) Journal of Chemical Information and Modeling, 58 (2), pp. 443-452. DOI: 10.1021/acs.jcim.7b00679, Print Edition ISSN: 1549-9596 Web Edition ISSN: 1549-960X (Impact Factor: 3.760, JCR).
• Vidal-Limón, A.M., García, P., Arellano-García, E., Contreras, O.E., Aguila, S.A.*, Enhanced degradation of pesticide dichlorophen by laccase immobilized on nanoporous materials: a cytotoxic and molecular simulation investigation, Bioconjugate chemistry, 2018, accepted. DOI: 10.1021/acs.bioconjchem.7b00739, ISSN: 1043-1802 (Print) 1520-4812 (Online) (Impact Factor: 4.818, JCR).

2017

• Vidal-Limón*, A.M., Tafoya, P., Santini, B.L., Contreras, O.E., Aguila, S.A.*, Electron transfer pathways analysis of oxygen tolerant [NiFe]-hydrogenases for hydrogen production: A quantum mechanics/molecular mechanics – statistical coupled analysis (2017) International Journal of Hydrogen Energy, 42 (32), pp. 20494-20502. DOI: 10.1016/j.ijhydene.2017.07.019, ISSN: 0360-3199 (Impact Factor: 3.582, JCR)
• Dueñas, S., Aguila, S.A.*, Pimienta, G.*, A workflow for in silico design of hIL-10 and ebvIL-10 inhibitors using well-known miniprotein scaffolds (2017) Journal of Molecular Modeling, 23 (4), art. no. 118. DOI: 10.1007/s00894-017-3276-1, ISSN: 1610-2940 (Print) 0948-5023 (Online) (Impact Factor: 1.425, JCR)
• García Grajeda, B.A., Soto Acosta, S.G., Aguila, S.A., Guevara, H.P., Díaz-García, M.E., Enríquez, A.C., Campos-Gaxiola, J.J., Selective and colorimetric detection of Ba2+ ions in aqueous solutions using 11-mercaptoundecylphosphonic acid functionalized gold nanoparticles (2017) RSC Advances, 7 (50), pp. 31611-31618. DOI: 10.1039/c7ra03861e, ISSN: 2046-2069.
• Vidal-Limon, A.M; Luna-Martínez, O.D.; Rojas-Durán, F; Meza- Menchaca, T.; Hernández-Aguilar, M.E.; Trigos, A.; Suárez- Medellín, J. (2017). Molecular Dynamics and Virtual Screening Analysis of Lanosterol Derivatives from Ganoderma spp. as Selective Ligands of Human Androgen Receptor. International Journal of Medicinal Mushrooms. ISSN 1521-9437. DOI:10.1615/IntJMedMushrooms.2017021162
• Alvarez-Guzmán, C.L.; Balderas-Hernández, V.E.; González-García, R. ;Ornelas- Salas, J.; Vidal-Limon, A.M.; Cisneros-de la Cueva, S.; De Leon-Rodriguez, A. (2017). Optimization of hydrogen production by the psychrophilic strain G088. International Journal of Hydrogen Energy. 42(6) 3630-3640. DOI: https:/10.1016/j.ijhydene.2016.08.098
• Quiroz-Carranza, J. A.; Vidal-Limon, A.M ; Torres Torres, J. A. (2017). Generation Of Wood Dusts In Workshops Of The Violin Making School Of The National Institute Of Fine Arts And Literature, Mexico. [Generación de polvos de madera en talleres de la Escuela de Laudería del Instituto Nacional de Bellas Artes y Literatura, México]. Revista Internacional de Impacto Ambiental-UNAM, 1 (33). DOI: http://dx.doi.org/10.20937/RICA.2017.33.01.06

2016

• Muñoz-Guerrero, F.A., Águila, S.A., Vazquez-Duhalt, R., Campos, C.H., Torres, C.C., Alderete, J.B. Substrate ionization energy influences the epoxidation of m-substituted styrenes catalyzed by chloroperoxidase from Caldariomyces fumago (2016) Catalysis Communications, 77, pp. 52-54. DOI: 10.1016/j.catcom.2016.01.017, ISSN: 1566-7367 (Impact Factor: 3.330, JCR)
• Muñoz-Guerrero, F.A., Águila, S.A., Vazquez-Duhalt, R., Torres, C.C., Campos, C.H., Alderete, J.B. Biocatalytic Performance of Chloroperoxidase from Caldariomyces fumago Immobilized onto TiO2 Based Supports (2016) Topics in Catalysis, 59 (2-4), pp. 387-393.  DOI: 10.1007/s11244-015-0438-1, ISSN: 1022-5528 (Print) 1572-9028 (Online) (Impact Factor: 2.486, JCR)
• Suárez-Medellín, J.; Meza-Menchaca, T.; Quiroz Carranza, J.A.; Trigos, A. and Vidal-Limon, A.M. (2016). In silico analysis of Lanostanoids isolated from Ganoderma mushrooms as potential ligands of vitamin D. International Journal of Medicinal Mushrooms. 18(11) 1037-1047. DOI: 1615/IntJMedMushrooms.v18.i11.80
• Luna-Martínez, O.D.; Vidal-Limon, A.M.; Villalba-Velázquez, M.I.; Sánchez-Alcalá, R.; Ramón Garduño Juárez, R.; Vladimir N. Uversky, V. and Becerril-Luján, B. (2016). Simple Approach for Ranking Structure Determining Residues. Peer J. e2136-e2159. DOI: 10.7717/peerj.2136

2015

• Aguila, S.A.*, Shimomoto, D., Ipinza, F., Bedolla-Valdez, Z.I., Romo-Herrera, J., Contreras, O.E., Farías, M.H., Alonso-Núñez, G., A biosensor based on Coriolopsis gallica laccase immobilized on nitrogen-doped multiwalled carbon nanotubes and graphene oxide for polyphenol detection (2015) Science and Technology of Advanced Materials, 16 (5), art. no. 055004. DOI: 10.1088/1468-6996/16/5/055004, ISSN: 1468-6996 (print) 1878-5514 (Online) (Impact Factor: 3.798, JCR)
• Muñoz-Guerrero, F.A., Águila, S.A., Vazquez-Duhalt, R., Alderete, J.B., Enhancement of operational stability of chloroperoxidase from Caldariomyces fumago by immobilization onto mesoporous supports and the use of co-solvents (2015) Journal of Molecular Catalysis B: Enzymatic, 116, pp. 1-8. DOI: 10.1016/j.molcatb.2015.02.014, ISSN: 1381-1177 (Impact Factor: 2.69, JCR)

2014

• Arrocha, A.A., Cano-Castillo, U., Aguila, S.A., Vazquez-Duhalt, R., Enzyme orientation for direct electron transfer in an enzymatic fuel cell with alcohol oxidase and laccase electrodes (2014) Biosensors and Bioelectronics, 61, pp. 569-574. DOI: 10.1016/j.bios.2014.06.009, ISSN: 0956-5663 (Impact Factor: 7.780, JCR)
• Vazquez-Duhalt, R., Aguila, S.A., Arrocha, A.A., Ayala, M., QM/MM Molecular Modeling and Marcus Theory in the Molecular Design of Electrodes for Enzymatic Fuel Cells (2014) ChemElectroChem, 1 (3), pp. 496-513. DOI: 10.1002/celc.201300096, ISSN: 2196-0216 (Impact Factor: 4.136, JCR)
• Martorana, A., Vazquez-Duhalt, R., Aguila, S.A., Basosi, R., Baratto, M.C., Spectroscopic characterization of 2,6-dimethoxyphenol radical intermediates in the Coriolopsis gallica laccase-mediator system (2014) Journal of Molecular Catalysis B: Enzymatic, 107, pp. 100-105. DOI: 10.1016/j.molcatb.2014.05.023, ISSN: 1381-1177 (Impact Factor: 2.69, JCR)

2013

• Carreño-Fuentes, L., Ascencio, J.A., Medina, A., Aguila, S.A., Palomares, L.A., Ramírez, O.T. Strategies for specifically directing metal functionalization of protein nanotubes: Constructing protein coated silver nanowires (2013) Nanotechnology, 24 (23), art. no. 235602. DOI: 10.1088/0957-4484/24/23/235602, ISSN: 1361-6528 (Online) 0957-4484 (Print) (Impact Factor: 3.440, JCR)
• Fernandez, P., Moreno, J., Barrientos, C., Aguila, S.A., Leon, D., Ortiz, S., Silva, R., Rodriguez, F., Leonardi, M., Morin, V., Romo, X., The action of ethanol on G proteins. In silico and cellular/molecular evidences, Advances in Bioscience and Biotechnology, 2013, 4 (5) 665-673. DOI: 10.4236/abb.2013.45087, ISSN: 2156-8456 (Print) 2156-8502 (Online) (Impact Factor: 1.13)
• Vidal-Limón, A., Águila, S.A., Ayala, M., Batista, C.V., Vazquez-Duhalt, R., Peroxidase activity stabilization of cytochrome P450BM3 by rational analysis of intramolecular electron transfer (2013) Journal of Inorganic Biochemistry, 122, pp. 18-26. DOI: 10.1016/j.jinorgbio.2013.01.009, ISSN: 0162-0134 (Print) 1873-3344 (Online) (Impact Factor: 3.348, JCR)
• Medina, F., Aguila, S.A., Baratto, M.C., Martorana, A., Basosi, R., Alderete, J.B., Vazquez-Duhalt, R., Prediction model based on decision tree analysis for laccase mediators (2013) Enzyme and Microbial Technology, 52 (1), pp. 68-76. DOI: 10.1016/j.enzmictec.2012.10.009, ISSN: 0141-0229 (Print) 1879-0909 (Online) (Impact Factor: 2.502, JCR)
• Águila, S.A.*, Vidal-Limón, A.M., Alderete, J.B., Sosa-Torres, M., Vázquez-Duhalt, R., Unusual activation during peroxidase reaction of a cytochrome c variant (2013) Journal of Molecular Catalysis B: Enzymatic, 85-86, pp. 187-192. DOI: 10.1016/j.molcatb.2012.09.009, ISSN: 1381-1177 (Impact Factor: 2.69, JCR)

2012

• Perezgasga, L., Sánchez-Sánchez, L., Aguila, S., Vazquez-Duhalt, R., Substitution of the catalytic metal and protein PEGylation enhances activity and stability of bacterial phosphotriesterase. Applied Biochemistry and Biotechnology 2012, 166, (5), 1236-1247.

2011

• Mena-Arizmendi, A., Alderete, J., Aguila, S., Marty, A., Miranda-Molina, A., Lopez- Munguia, A., Castillo, E., Enzymatic fructosylation of aromatic and aliphatic alcohols by Bacillus subtilis levansucrase: Reactivity of acceptors. Journal of Molecular Catalysis B- Enzymatic 2011, 70, (1-2),
• Aguila, S., Vazquez-Duhalt, R., Covarrubias, C., Pecchi, G., Alderete, J. B., Enhancing oxidation activity and stability of iso-1-cytochrome c and chloroperoxidase by immobilization in nanostructured supports. Journal of Molecular Catalysis B-Enzymatic 2011, 70, (3-4), 81-87.
• Torres-Duarte, C., Aguila, S., Vazquez-Duhalt, R., Syringaldehyde a true laccase mediator: comments on the letter to the editor from Jeon, J-R., Kim, E-J. and Chang, Y-S., Chemosphere 2011, 85, 1761-1762.

2010

• Silva, J., Alarcon, J., Aguila, S. A., Alderete, J. B., Bioreduction of Some Common Carbonylic Compounds Mediated by Yeasts. Zeitschrift Fur Naturforschung Section C-a Journal of Biosciences 2010, 65, (1-2), 1-9.
• Alarcon, J., Cid, E., Lillo, L., Cespedes, C., Aguila, S., Alderete, J. B., Biotransformation of indole derivatives by mycelial cultures. Zeitschrift Fur Naturforschung Section C-a Journal of Biosciences 2008, 63, (1-2), 82-84.

2008

• Aguila, S., Vazquez-Duhalt, R., Tinoco, R., Rivera, M., Pecchi, G., Alderete, J. B., Stereoselective oxidation of R-(+)-limonene by chloroperoxidase from Caldariomyces fumago. Green Chemistry 2008, 10, (6), 647-653.
• Céspedes, C., Alarcón, J., Aguila, S., Torres, P., Aqueveque, P., Becerra, J., Silva, M., Antifeedant and Insect Growth Regulatory Activities of Methanolic Extracts from Chilean Podocarpaceae, Biopesticides International 2008, 4, (1), 35-51.2013
• Lillo, L., Alarcon, J., Cabello, G., Aguila, S., Alderete, J. B., Production of exopolysaccharides by a submerged culture of an entomopathogenic fungus, Paecilomyces sp. Zeitschrift Fur Naturforschung C-a Journal of Biosciences 2007, 62, (7-8), 576-578.

2007

• Lillo, L., Alarcon, J., Cabello, G., Aguila, S., Alderete, J. B., Structural studies of native Paecilomyces sp exopolysaccharide. Zeitschrift Fur Naturforschung Section C-a Journal of Biosciences 2007, 62, (9-10), 623-626.
• Alarcon, J., Aguila, S., Cornejo, F., Alderete, J., Biotransformation of 5 alpha-hydroxy-14-eudesm-11-en-3-one by Rhizopus nigricans, Cunninghamella elegans and Mucor plumbeus. Journal of Molecular Catalysis B-Enzymatic 2007, 48, (1-2), 23-27.

2006

• Alarcon, J., Foncea, L., Aguila, S., Alderete, J. B., Biotransformation of tryptophan by liquid medium culture of Psilocybe coprophila (Basidiomycetes). Zeitschrift Fur Naturforschung Section C-a Journal of Biosciences 2006, 61, (11-12), 806-808.
• Alarcon, J., Aguila, S., Lovastatin production by Pleurotus ostreatus: Effects of the C:N ratio. Zeitschrift Fur Naturforschung C-a Journal of Biosciences 2006, 61, (1-2), 95-98.
• Aguila, S., Alarcon, J., Conejeros, C., Alderete, J. B., Regio and stereoselective hydroxylation of 5a-hydroxy-14-eudesm-11-en-3-one eudesmane by biotransformation of Rhizopus nigricans. Journal of the Chilean Chemical Society 2006, 51, (2), 855-857.

2005

• Alarcon, J., Alderete, J. B., Aguila, S., Peter, M. G., Regio and stereoselective hydroxylation of alpha-agarofuran by biotransformation of Rhizopus nigricans. Journal of the Chilean Chemical Society 2005, 50, (4), 715-718.

2004

• Alarcon, J., Aguila, S., Biotransformation of 3-alpha,4-alpha-dihydroxy-dihydro-beta- agarofuran by Rhizopus nigricans. Zeitschrift Fur Naturforschung C-a Journal of Biosciences 2004, 59, (3-4), 215-217.

2003

• Alarcon, J., Aguila, S., Arancibia-Avila, P., Fuentes, O., Zamorano-Ponce, E., Hernandez, M., Production and purification of statins from Pleurotus ostreatus (Basidiomycetes) strains. Zeitschrift Fur Naturforschung C-a Journal of Biosciences 2003, 58, (1-2), 62-64.

*Corresponding author