What we are doing in our group?
Photochemistry
The importance of photoswitches as drug is enormous and Quantum Chemistry could help us to achieve it
Protein Design
The modification of enzymes is one of the key tools on synthesising new specific compounds
Drug Design
We are trying to re-design drugs for inflammation inihibition
Allosteric Effects
Sometimes the activity of enzymes depends on the movement of several domains of the protein structure, to understand how it works, these movements must be studied
Latest Publications
ACS Catalysis
Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5-Lipoxygenase: Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access
Angewandte Chemie International Edition
Three-Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo
Molecules
Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1H-indoles and 5-(4-Methoxyphenyl)-1H-imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15?
Latest News
February 23, 2024
J2IFAM 2024
The importance of COX-2 and inflammatory diseases against cancer
January 31, 2024
13a Trobada de Joves Investigadors del Països Catalans
Álex presents his work entitled: “Understanding COX-2 for the design of new drugs against cancer: Computational study using a specific fluorogenic compound”.
December 20, 2023
New Doctor at the Group
Theoretical and experimental study of the reaction mechanism of several lipoxygenases and hydrolases: governing their product pattern by mutagenesis.
