Contacto
Campos de conocimiento
Reconocimiento Molecular y Bioestructura
Líneas de investigación
Búsqueda substancias bioactivas en bases de datos moleculares, predicción de sus propiedades biológicas y toxicológicas y estudios de reconocimiento molecular.
Publicaciones
1. Gonzalez-Ponce, K. Guha, R.; Horta Andrade, C.; Kirchmair, J.; Martinez-Mayorga, K., Medina-Franco, J.L.; Rarey, M.; Tropsha, A.; Varnek, A. “School of Chemoinformatics in Latin America. Meeting report”, J Cheminfo, 2023, en prensa. (FI: 8.45)
2. Martinez-Mayorga, K.; Rosas-Jimenez, J.G.; Luna-Mora, P. Rios-Guerra, H. “Synthesis of diphenylene ketone derivatives through infrared irradiation in a natural clay” Can. J. Chem. 2023, en prensa. (FI: 1.05)
3. Barrera-Téllez, F.; Prieto-Martinez, F.D.; Martinez-Mayorga, K.; Hernandez-Campos, A.; Castillo-Bocanegra, R. “In silico exploration of the trypanothione reductase (TryR) of L. Mexicana”., Int. J. Mol. Sci. en prensa. (FI: 6.21)
4. Barkdull, A.; Chenb, L.; Mathavanc, A.; Martinez-Mayorga, K.; Colina, C. M. “Validation of a Computationally Efficient Model of the Mu-Opioid Receptor” Am. J. Undergrad. Res. 2023, en prensa.
5. Correa-Padilla, E.; Hernandez-Cano, A.; Ruiz-Padilla, E.; Regla, I.; Cuevas, G.; Acevedo-Betancur, Y.; Esquivel-Guadarrama, F.; Martinez-Mayorga, K. “Modifications in the piperazine ring of nucleozin affect anti-influenza activity” PLOS ONE 2023, https://doi.org/10.1371/journal.pone.0277073 (FI: 3.75)
6. Guha, R.; Zdrazil, B.; Jeliazkova, N.; Martinez-Mayorga, K. “A look back at a pilot of the citation typing ontology” J. Cheminformatics, 2023, https://doi.org/10.1186/s13321-023-00684-1. (FI: 8.45)
7. Shanmugasundaram, V.; Bajorath, J.; Christoffersen, R. E.; Petke, J. D.; Howe, W. J.; Johnson, M. A.; Agrafiotis, D. K.; Lee, P.; Kuhn, L. A.; Goodwin, J. T.; Holloway, M. K.; Doman, T. N.; Walters, W. P.; Schreyer, S.; Medina-Franco, J. L.; Martinez-Mayorga, K.; Restifo, L. “Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator” J. Comp.-Aided Mol. Des., 2022, 36, 623-638. (FI: 4.18)
8. Madariaga-Mazón, A.; Naveja, J.J.; Campillo-Balderas, J.; Jácome R.; Hernández-Morales, R.; Becerra-Bracho, A.; Lazcano-Araujo, A.; Martínez-Mayorga, K. “Subtle structural differences of nucleotide analogs may impact SARS-CoV-2 RNA-dependent RNA polymerase and exoribonuclease activity” Comp. Struct. Biotech. J. 2022, 20, 5181-5192. (FI: 6.15)
9. Hernández-Alvarado, R.B.; Madariaga-Mazón, A.; Cosme-Vela, F.; Marmolejo-Valencia, A.F.; Nefzi, F.; Martinez-Mayorga, K. “Encoding mu-opioid receptor biased agonism with interaction fingerprints” K. J. Comp. Aided Mol. Des. 2021, 35, 1081-1093. (FI: 4.18)
10. Medina-Franco, J. L.; Martinez-Mayorga, K.; Fernández-de Gortari, E.; Kirchmair, K.; Bajorath, J. “Rationality over fashion and hype in drug design” F1000, CIS, 2021, 10, 397.
11. Marmolejo-Valencia, A.F.; Madariaga-Mazón, A.; Martinez-Mayorga, K. “Bias-inducing allosteric binding site in mu-opioid receptor signaling” Springer Nat. Applied. Sci. 2021, 3, 566. (FI: 2.88)
12. Madariaga-Mazón, A.; Naveja-Romero, J.J.; Medina-Franco, J. L.; Noriega-Colima, O.; Martínez-Mayorga, K. “DiaNat-DB: a molecular database of antidiabetic compounds from medicinal plants”. RSC Adv, 2021, 11, 5172-5178. (FI: 4.04)
13. Rosas-Jiménez, J. G.; Madariaga-Mazón, A.; García-Revilla, M.; Martinez-Mayorga, K. “Predictive Global Models of Cruzain Inhibitors with Large Chemical Coverage”. ACS Omega, 2021, 6, 6722-6735.(FI: 4.13)
14. Fried, S.D.E.; Lewis, J.W.; Szundi, I.; Martinez-Mayorga, K.; Mahalingam, M.; Vogel, R.; Kliger, D.S.; Brown, M.F. “Membrane Curvature Revisited—the Archetype of Rhodopsin Studied by Time-Resolved Electronic Spectroscopy” Biophysical J. 2021,120, 440-452. (FI: 4.03)
15. Naveja, J.J.; Madariaga-Mazón, A.; Flores-Murrieta, F.; Granados-Montiel, J.; Maradiaga-Ceceña, M. A.; Duarte Alaniz, V.; Maldonado-Rodriguez, M.; García-Morales, J.; Senosiain-Peláez, J. P.; Martínez-Mayorga, K. “Union is strength: antiviral and anti-inflammatory drugs for COVID-19” Drug Discov. Today, 2021, 26, 229-239. (FI: 8.34)
16. Hernández-Alvarado, R. B.; Madariaga-Mazón, A.; Ortega, A.; Martinez-Mayorga, K. “DARK Classics in Chemical Neuroscience: Salvinorin A” ACS Chem. Neurosci. 2020, 3979-3992. (FI: 5.78)
17. Martinez-Mayorga, K; Madariaga-Mazon, K.; Medina-Franco, J.L.; Maggiora, G. “The impact of chemoinformatics on drug discovery in the pharmaceutical industry”. Exp. Opinion on Drug Discov. 2020, 15, 293-306. (FI:7.05)
18. Madariaga-Mazón, A.; Hernández-Alvarado, R.; Noriega-Colima, K.O.; Osnaya-Hernández, A.; Martinez-Mayorga, K. “Toxicity of secondary metabolites”. Physical Sciences Reviews, ISSN (Online), DOI: https://doi.org/10.1515/psr-2018-0116. 2019, 20180116. (FI: 1.52)
19. Hernández-Alvarado, R.; Madariaga-Mazón, A.; Martinez-Mayorga, K. Prediction of toxicity of secondary metabolites. Physical Sciences Reviews, ISSN (Online) DOI: https://doi.org/10.1515/psr-2018-0107. 2019, 20180107. (FI: 1.52)
20. Mendez, S-T.; Castillo-Villanueva, A.; Martinez-Mayorga, K.; Reyes-Vivas, H.; Oria-Hernandez, J. “Structure-based identification of a potential non-catalytic binding site for rational drug design in the fructose 1,6-biphosphate aldolase from Giardia lamblia” Scientific Reports 2019, 9, 1-12. (FI: 4.6)
21. Garcia-Jacas, C. R.; Marrero-Ponce, Y.; Cortes-Guzman, F.; Suarez-Lezcano, J.; Martinez-Rios, F.O.; Garcia-Gonzalez, L.A.; Pupo-Merino, M.; Martinez-Mayorga, K. “Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes” Chem. Res. Toxicol. 2019, 32, 1178-1192. (FI: 3.97)
22. Madariaga-Mazon, A.; Osnaya-Hernandez, A; Chavez-Gomez, A; Garcia-Ramos, J. C.; Cortes-Guzman, F; Castillo-Pazos, D.J.; Martinez-Mayorga, K. “Distribution of toxicity values across different species and modes of action of pesticides from PESTIMEP and PPDB databases” Toxicol. Res. 2019, 8, 146-156. (FI: 2.68)
23. Gomez-Jimenez, G.; Gonzalez-Ponce, K.; Castillo-Pazos, D. J.; Madariaga-Mazon, A.; Barroso-Flores, J.; Cortes-Guzman, F.; Martinez-Mayorga, K. “The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery on Databases (KDD)” Adv. Prot. Chem. Struc. Biol. 2018, 113, 85-115. (FI: 5.45)
24. Medina-Franco, J. L. Martinez-Mayorga, K. “Uncovering Activity Cliff Generators using Distribution of SALI Values” TIP Revista Especializada en Ciencias Químico-Biológicas, 2018, 21, 14-23.
