Understanding COX-2 for the Design of New Cancer Drugs: Computational Study with Specific Photochromic Compounds Álex Pérez Sánchez Les ciclooxigenases són una família d’enzims essencials en la regulació de la inflamació i altres processos del cos humà. Hi ha dues isoformes principals, COX-1 i COX-2, amb diferents rols i patrons d’expressió als teixits. La COX-1 […]
Three-Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo Rosalba Sortino, Marina Cunquero, Gustavo Castro-Olvera, Ricard Gelabert, Miquel Moreno, Fabio Riefolo, Carlo Matera, Noèlia Fernàndez-Castillo, Luca Agnetta, Michael Decker, José Maria Lluch, Jordi Hernando, Pablo Loza-Alvarez, Pau Gorostiza To interrogate neural circuits and crack their codes, in vivobrain activity imaging must be combined with spatiotemporally precise stimulation in three dimensions using genetic or pharmacological specificity. This challenge requires deep […]
Illuminating the Dark Side of COX-2: Insights from Computational Simulations and Fluorescent Probes in Cancer Research Álex Pérez Sánchez Les ciclooxigenases són una família d’enzims que tenen un paper fonamental en la regulació de la inflamació, el dolor i la febre. en el cos humà. Hi ha dues isoformes principals de ciclooxigenases, COX-1 i COX-2, […]
Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches Simulations based on molecular dynamics coupled to excitation energy calculations were used to generate simulated absorption spectra for a family of halide derivatives of azobenzene, a family of photoswitch molecules with a weak absorption band around 400–600 nm and potential uses in living tissue. This is […]
On the Computational Design of Azobenzene-Based Multi-State Photoswitches In order to theoretically design multi-state photoswitches with specific properties, an exhaustive computational study is first carried out for an azobenzene dimer that has been recently synthesized and experimentally studied. This study allows for a full comprehension of the factors that govern the photoactivated isomerization processes of […]