Daniel M. Bustos Guajardo

Departamento de Medicina Traslacional – Facultad de Medicina UCM

Línea de investigación: Diseño de Fármacos. Ciencia de Datos – Inteligencia Artificial. Bioinformática Estructural.

Grado académico:

• Ingeniero en Bioinformática, Universidad de Talca
• Doctor En Ciencias Aplicadas, Universidad de Talca

Publicaciones y Artículos:

• Integrative Computational Approaches for TRPV1 Ion Channel Inhibitor Discovery: An Integrated Machine Learning, Drug Repurposing and Molecular Simulation Approach. Jaime González, Jonathan M Palma, Bruna Benso, Elizabeth Valdés-Muñoz, Gabriela Urra, Sofía E Ríos-Rozas, Natalia Morales, Reynier Suardíaz, Melissa Alegría-Arcos, Daniel Bustos. Journal of Chemical Information and Modeling. 2025-08-21. DOI: 10.1021/acs.jcim.5c00991.
•  Functions of Arabidopsis CTP:phosphocholine cytidylyltransferase 1 in phosphatidylcholine biosynthesis and root growth. Qiong Xiao, Daniel Bustos, Kristian M Caldo, Luis Morales-Quintana, Tao Huan, Guanqun Chen. Plant Physiology. 2025-07-03. DOI: 10.1093/plphys/kiaf272.
• Molecular determinants of HCO3− and cation transport in the human cation-dependent Cl−/HCO3− exchanger AE4. Marcelo A Catalán, Lisandra Flores-Aldama, Fernanda Fernández, Daniel Bustos, Natalia Apablaza, Ailen Hidalgo, Yuliet Mazola, Ella Matamala, Li Yo Kao, Ira Kurtz, Carlos Spichiger, José M Sarmiento, Sebastian Brauchi, Wendy González, Leandro Zúñiga, Gaspar Peña-Münzenmayer. American Journal of Physiology-Cell Physiology. 2025-06-01. DOI: 10.1152/ajpcell.00346.2024. 
• Structural Implications of H233L and H398P Mutations in Phospholipase Cζ: A Full-Atom Molecular Dynamics Study on Infertility-Associated Dysfunctions. Fernando Hinostroza, Sofía Albornoz-Muñoz, Sebastián Vergara, Gabriela Urra, Ingrid Araya-Durán, Rafael A Fissore, Fernando Danilo González-Nilo, Daniel Bustos, Ingrid Carvacho. International Journal of Molecular Sciences. 2025-05-14. DOI: 10.3390/ijms26104706. 
• Nature of host–guest interaction of cyclic alcohols in β-Cyclodextrin: A molecular view of its structural features. Plinio Cantero-López, Julio Sánchez, Manuel S Páez Meza, CA García-Negrete, Daniel Bustos, Osvaldo Yáñez. Chemical Physics. 2025. DOI: 10.1016/j.chemphys.2024.112483.
• Novel apocynin regulates TRPV1 activity in the trigeminal system and controls pain in a temporomandibular joint neurogenic model. Taisa Maria Mendes Matuiama Machado, Iara Gonçalves Aquino, Marcelo Franchin, Miguel O Zarraga, Daniel Bustos, Fernanda Papa Spada, Marcelo Henrique Napimoga, Juliana Trindade Clemente-Napimoga, Severino Matias Alencar, Bruna Benso, Henrique Ballassini Abdalla. European Journal of Pharmacology. 2024-12-15. DOI: 10.1016/j.ejphar.2024.177093. 
•  A study of the oral bioavailability and biodistribution increase of Nanoencapsulation-driven Delivering radiolabeled anthocyanins. Thiécla Katiane Osvaldt Rosales, Fábio Fernando Alves da Silva, Andy Gonzàlez Rivera, Sofia Nascimento Dos Santos, Daniel Bustos, Luis Alberto Morales-Quintana, Hélder A Santos, Emerson Soares Bernardes, João Paulo Fabi. Food Research International. 2024-12-1. DOI: 10.1016/j.foodres.2024.115125. 
• Preliminary design for reference tracking feedback for medical cyber-physical pharmacokinetic systems. Pedro M Oliveira, Daniel Bustos, Rodolfo Lobo, Márcio J Lacerda, Jonathan M Palma. 2024 IEEE International Conference on Automation/XXVI Congress of the Chilean Association of Automatic Control (ICA-ACCA). 2024-10-20. DOI: 10.1109/ICA-ACCA62622.2024.10766825.  
• An intracellular hydrophobic nexus critical for hERG1 channel slow deactivation. Whitney A Stevens-Sostre, Lisandra Flores-Aldama, Daniel Bustos, Jin Li, João H Morais-Cabral, Lucie Delemotte, Gail A Robertson. Biophysical journal. 2024-7-16. DOI: 10.1016/j.bpj.2024.01.010. 
•  Unraveling the key step in the aroma puzzle: Insights into alcohol acyltransferases in strawberries. Darwin Saez, Francisca Rodríguez-Arriaza, Gabriela Urra, João Paulo Fabi, Francisca Hormazábal-Abarza, Angela Méndez-Yáñez, Egle Castro, Daniel Bustos, Patricio Ramos, Luis Morales-Quintana. Plant Physiology and Biochemistry. 2024-7-1. DOI: 10.1016/j.plaphy.2024.108668. 
•  Structural and transcriptional characterization of pyruvate decarboxylase (PDC) gene family during strawberry fruit ripening process. Francisca Hormazabal-Abarza, Daniel Bustos, Francisca Rodríguez-Arriaza, Darwin Sáez, Gabriela Urra, Carolina Parra-Palma, Ángela Méndez-Yáñez, Patricio Ramos, Luis Morales-Quintana. Plant Physiology and Biochemistry. 2024/2/1. DOI: 10.1016/j.plaphy.2024.108417. 
• A journey from molecule to physiology and in silico tools for drug discovery targeting the transient receptor potential vanilloid type 1 (TRPV1) channel. Cesar A Amaya-Rodriguez, Karina Carvajal-Zamorano, Daniel Bustos, Melissa Alegría-Arcos, Karen Castillo. Frontiers in pharmacology. 2024-1-24. DOI: 10.3389/fphar.2023.1251061. 
•  Removal of two carbamate pesticides from aqueous solutions using an adsorbent material based on poly (vinyl alcohol) and malic acid hydrogels. Esteban F Durán-Lara, Gustavo Carreño, Alfredo Pereira, Marcelo Guerrero, Oscar Valdés, Daniel Bustos, Jorge Rivas, Jorge Villaseñor, Ricardo I Castro, Adolfo Marican. Polymer Bulletin. 2024-7. DOI: 10.1007/s00289-024-05174-4. 
•  From Proteome to Potential Drugs: Integration of Subtractive Proteomics and Ensemble Docking for Drug Repurposing against Pseudomonas aeruginosa RND Superfamily Proteins. Gabriela Urra, Elizabeth Valdés-Muñoz, Reynier Suardiaz, Erix W Hernández-Rodríguez, Jonathan M Palma, Sofía E Ríos-Rozas, Camila A Flores-Morales, Melissa Alegría-Arcos, Osvaldo Yáñez, Luis Morales-Quintana, Vívian D’Afonseca, Daniel Bustos. International Journal of Molecular Sciences. 2024-07. DOI: 10.3390/ijms25158027. 
•  Machine Learning-Driven Classification of Urease Inhibitors Leveraging Physicochemical Properties as Effective Filter Criteria. Natalia Morales, Elizabeth Valdés-Muñoz, Jaime González, Paulina Valenzuela-Hormazábal, Jonathan M Palma, Christian Galarza, Ángel Catagua-González, Osvaldo Yáñez, Alfredo Pereira, Daniel Bustos. International Journal of Molecular Sciences. 2024-04-13. DOI: 10.3390/ijms25084303 
• The Controlled Release of Abscisic Acid (ABA) Utilizing Alginate–Chitosan Gel Blends: A Synergistic Approach for an Enhanced Small-Molecule Delivery Controller. Oscar Valdes, Daniel Bustos, Luis Guzmán, Marcelo Muñoz-Vera, Gabriela Urra, Ricardo I Castro, Luis Morales-Quintana. Gels. 2024-03-08. DOI: 10.3390/gels10030185 
• Unveiling Novel Urease Inhibitors for Helicobacter pylori: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations. Paulina Valenzuela-Hormazabal, Romina V Sepúlveda, Melissa Alegría-Arcos, Elizabeth Valdés-Muñoz, Víctor Rojas-Pérez, Ileana González-Bonet, Reynier Suardíaz, Christian Galarza, Natalia Morales, Verónica Leddermann, Ricardo I Castro, Bruna Benso, Gabriela Urra, Erix W Hernández-Rodríguez, Daniel Bustos. International Journal of Molecular Sciences. 2024-02. DOI: 10.3390/ijms25041968 
• Development and Evaluation of Cross-Linked Alginate–Chitosan–Abscisic Acid Blend Gel. Daniel Bustos, Luis Guzmán, Oscar Valdés, Marcelo Muñoz-Vera, Luis Morales-Quintana, Ricardo I Castro. Polymers. 2023-07-28. DOI: 10.3390/polym15153217 
• Calcium-Alginate-Chitosan Nanoparticle as a Potential Solution for Pesticide Removal, a Computational Approach. Osvaldo Yáñez, Melissa Alegría-Arcos, Reynier Suardiaz, Luis Morales-Quintana, Ricardo I Castro, Jonathan Palma-Olate, Christian Galarza, Ángel Catagua-González, Víctor Rojas-Pérez, Gabriela Urra, Erix W Hernández-Rodríguez, Daniel Bustos. Polymers. 2023-07. DOI: 10.3390/polym15143020. 
• Cost-Effective Pipeline for a Rational Design and Selection of Capsaicin Analogues Targeting TRPV1 Channels. Daniel Bustos, Christian Galarza, Wilson Ordoñez, Sebastian Brauchi, Bruna Benso. ACS Omega. 2023-04-04. DOI: 10.1021/acsomega.2c05672 
• Intracellular Helix-Loop-Helix Domain Modulates Inactivation Kinetics of Mammalian TRPV5 and TRPV6 Channels. Lisandra Flores-Aldama, Daniel Bustos, Deny Cabezas-Bratesco, Wendy Gonzalez, Sebastian E Brauchi. International Journal of Molecular Sciences. 2023-02-24. DOI: 10.3390/ijms24054470 
• Rational Design of Hydrogels for Cationic Antimicrobial Peptide Delivery: A Molecular Modeling Approach. Alfredo Pereira, Elizabeth Valdés-Muñoz, Adolfo Marican, Gustavo Cabrera-Barjas, Sekar Vijayakumar, Oscar Valdés, Diana Rafael, Fernanda Andrade, Paulina Abaca, Daniel Bustos, Esteban F Durán-Lara. Pharmaceutics. 2023-01-31. DOI: 10.3390/pharmaceutics15020474. 
• Structural Insights into the Inhibition Site in the Phosphorylcholine Phosphatase Enzyme of Pseudomonas aeruginosa. Daniel Bustos, Erix W Hernández-Rodríguez, Horacio Poblete, Jans Alzate-Morales, Cecilia Challier, Cristhian Boetsch, Ariela Vergara-Jaque, Paola Beassoni. Journal of Chemical Information and Modeling. 2022-06-27. DOI: 10.1021/acs.jcim.2c00059. 
• Selective TASK-1 inhibitor with a defined structure–activity relationship reduces cancer cell proliferation and viability. Bárbara Arévalo, Mauricio Bedoya, Aytug K Kiper, Fernando Vergara, David Ramírez, Yuliet Mazola, Daniel Bustos, Rafael Zúñiga, Rocio Cikutovic, Angel Cayo, Susanne Rinné, M Teresa Ramirez-Apan, Francisco V Sepúlveda, Oscar Cerda, Eduardo López-Collazo, Niels Decher, Leandro Zúñiga, Margarita Gutierrez, Wendy González. Journal of Medicinal Chemistry. 2022-11-15. DOI: 10.1021/acs.jmedchem.1c00378.
• Structural Effects of pH Variation and Calcium Amount on the Microencapsulation of Glutathione in Alginate Polymers. Daniel Bustos, Erix W Hernández-Rodríguez, Ricardo I Castro, Luis Morales-Quintana. BioMed Research International. 2022-01. DOI: 10.1155/2022/5576090. 
• Physicochemical and computational analysis of the melamine resin derivative for the glyphosate absorption from water using Langmuir-type model. Luis Morales-Quintana, Daniel Bustos, Jaime Gallego, Oscar Valdes, L Guzmán, Fabiane M Nachtigall, Adolfo Marican, Erix W Hernández-Rodríguez, Fabian Avila-Salas, W Bueno-Silva, Leonardo S Santos, Ricardo I Castro. International Journal of Environmental Science and Technology. 2022-8. DOI: 10.1007/s13762-021-03685-5. 
•  A Novel Theoretical Probabilistic Model for Opportunistic Routing with Applications in Energy Consumption for WSNs. Christian E Galarza, Jonathan M Palma, Cecilia F Morais, Jaime Utria, Leonardo P Carvalho, Daniel Bustos, Ricardo CLF Oliveira. Sensors. 2021-12-02. DOI: 10.3390/s21238058 
•  Use of Poly(vinyl alcohol)-Malic Acid (CLHPMA) Hydrogels and Chitosan Coated Calcium Alginate (CCCA) Microparticles as Potential Sorbent Phases for the Extraction and Quantitative Determination of Pesticides from Aqueous Solutions. Cristian Valdés, Oscar Valdés, Daniel Bustos, Diana Abril, Gustavo Cabrera-Barjas, Alfredo Pereira, Jorge Villaseñor, Efraín Polo-Cuadrado, Gustavo Carreño, Esteban F Durán-Lara, Adolfo Marican. Polymers. 2021-11-19. DOI: 10.3390/polym13223993. 
• Multi-Equilibrium Point Coupled Tanks System: A tutorial about LPV modelling and control design. Jorge A Zolorza, Jonathan M Palma, Leonardo P Carvalho, Daniel Bustos, Cecília F Morais, Karina A Barbosa. 2021 IEEE CHILEAN Conference on Electrical, Electronics Engineering, Information and Communication Technologies (CHILECON). 2021-12-6. DOI: 10.1109/CHILECON54041.2021.9702916. 
• Brief tutorial to evaluate molecular cavities in large conformational ensembles: a K2P channel study case. Daniel Bustos, Jonathan M Palma, Maira Vidal, Wendy González, Erix W Hernández. 2021 IEEE International Conference on Automation/XXIV Congress of the Chilean Association of Automatic Control (ICA-ACCA). 2021-3-22. DOI: 10.1109/ICAACCA51523.2021.9465239. 
• Elucidating the Structural Basis of the Intracellular pH Sensing Mechanism of TASK-2 K2P Channels. Daniel Bustos, Mauricio Bedoya, David Ramírez, Guierdy Concha, Leandro Zúñiga, Niels Decher, Erix W Hernández-Rodríguez, Francisco V Sepúlveda, Leandro Martínez, Wendy González. International Journal of Molecular Sciences. 2020-01-14. DOI: 10.3390/ijms21020532 
•  Correction: Concha, G., et al. The Insensitivity of TASK-3 K2P Channels to External Tetraethylammonium (TEA) Partially Depends on the Cap Structure. Guierdy Concha, Daniel Bustos, Rafael Zuniga, Marcelo A Catalan, Leandro Zuniga. International Journal of Molecular Sciences. 2019-09-19. DOI: 10.3390/ijms20184651 
• Chalcone derivatives as non-canonical ligands of TRPV1. Bruna Benso, Daniel Bustos, Miguel O Zarraga, Wendy Gonzalez, Julio Caballero, Sebastian Brauchi. The International Journal of Biochemistry & Cell Biology. 2019-07. DOI: 10.1016/j.biocel.2019.04.010. 
•  PrMATE1 Is Differentially Expressed in Radiata Pine Exposed to Inclination and the Deduced Protein Displays High Affinity to Proanthocyanidin Substrates by a Computational Approach. Luis Morales-Quintana, Daniel Bustos, Jaime González, Daniela C Urbina, Raúl Herrera, Patricio Ramos. Journal of Plant Growth Regulation. 2019-03. DOI: 10.1007/s00344-018-9801-3. 
•  Sodium permeable and “hypersensitive” TREK ‐1 channels cause ventricular tachycardia. N Decher, B Ortiz-Bonnin, C Friedrich, M Schewe, AK Kiper, S Rinne, G Seemann, R Peyronnet, S Zumhagen, D Bustos, J Kockskamper, P Kohl, S Just, W Gonzalez, T Baukrowitz, B Stallmeyer, E Schulze-Bahr. EMBO Molecular Medicine. 2017-04. DOI: 10.15252/emmm.201606690.  
• Cooperation through Competition—Dynamics and Microeconomics of a Minimal Nutrient Trade System in Arbuscular Mycorrhizal Symbiosis. Stephan Schott, Braulio Valdebenito, Daniel Bustos, Judith L Gomez-Porras, Tripti Sharma, Ingo Dreyer. Frontiers in Plant Science. 2016-06-27. DOI: 10.3389/fpls.2016.00912 
• Functional mutagenesis screens reveal the ‘cap structure’ formation in disulfide-bridge free TASK channels. Matthias Goldstein, Susanne Rinné, Aytug K Kiper, David Ramírez, Michael F Netter, Daniel Bustos, Beatriz Ortiz-Bonnin, Wendy González, Niels Decher. Scientific Reports. 2016-05. DOI: 10.1038/srep19492.