Our research focuses on the search and rational design of new molecules that inhibit or modulate various membrane or cytosolic proteins’ function, using drug discovery strategies based on in silico studies and medicinal chemistry methods. Simultaneously, we have the tools and knowledge of conventional and combinatorial Chemical Synthesis to obtain and synthetically modify leading molecules to improve their affinity and biological activity against a particular target. Using nanotechnology and chemical synthesis strategies, we develop new controlled drug release systems, through dendrimers functionalization and the rationalization of the components of liposomes and biopolymers, controlling the peripheral chemical groups, to improve the affinity with the drug of interest and the target to which it will be directed.
At present, we center our interest in discovering, design, and synthesizing through a combination of experimental and in silico drug-discovery pipelines a set of new molecules that block and inhibit inx2 GJ channels function with low cytotoxicity. The innexin2 channel is associated with the Caligus rogercreseyi parasite, which is the most significant sea lice species affecting the country’s salmon industry. Through virtual screening, we search for new Innexin1 inhibitors, channel involved in the anophelesgambiae mosquito function, to contribute the knowledge of new targets and inhibitors related to Malaria disease.
- Duarte Y., Gutiérrez M., Álvarez R., Alzate-Morales J., Soto-Delgado J. Experimental and theoretical approaches in the study of phenanthroline-tetrahydroquinolines for Alzheimer’s disease. Chemistyopen. 2019, 8, 627–636.
- Lozano-Cruz T., Alcarraz-Vizán G., de la Mata F. J., de Pablo S., Ortega P., Duarte Y, Bravo-Moraga F., D. González-Nilo F., Novials A., Gómez R. Cationic carbosilane dendritc systems as promising anti-amyloid agents in type 2 diabetes. Chemistry. 2020;26(34):7609-7621.
- Duarte Y., Cáceres J., Sepúlveda R. V., Arriagada D., Olivares P., Díaz-Franulic I., Stehberg J., González-Nilo F.. Novel TRPV1 Channel Agonists with Faster and More Potent Analgesic Properties Than Capsaicin. Front. Pharmacol., 2020, 14.
- Doñate-Macian P., Duarte Y., Rubio-Moscardo F., Pérez-Vilaró G., Canan J., Díez J., González-Nilo F., Valverde M.A. Structural determinants of TRPV4 inhibition and identification of new antagonists with antiviral activity. Br J Pharmacol. 2020; 1– 16.
- López X., Escamilla R., Fernandez P., Duarte Y., González-Nilo F., Palacios-Prado N., Martinez A., Sáez J.C. Stretch-induced activation of pannexin 1 channels can be prevented by PKA- dependent phosphorylation. IJMS 2020, 2;21(23):9180.