Hydroperoxidation of Docosahexaenoic Acid by Human ALOX12 and pigALOX15-mini-LOX Canyelles-Niño, M.; González-Lafont, À.; Lluch, J.M. Human lipoxygenase 12 (hALOX12) catalyzes the conversion of docosahexaenoic acid (DHA) into mainly 14S-hydroperoxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid (14S-H(p)DHA). This hydroperoxidation reaction is followed by an epoxidation and hydrolysis process that finally leads to maresin 1 (MaR1), a potent bioactive specialized pro-resolving mediator […]
Theoretical Chemistry against inflammatory human diseases Josep Maria Lluch López Acute inflammation is a very important host defense mechanism against infection, disrupted homeostasis or injury, consisting of an initiation phase, followed by a resolution phase. This resolution phase is regulated by a series of specialized pro-resolution lipid mediators (SPMs) produced by human cells called macrophages. […]
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 […]
Study of the conversion of leukotriene A4 to leukotriene B4 driven by leukotriene A4 hydrolase Miquel Canyelles Niño LTA4H is a bifunctional zinc metalloenzyme that converts leukotriene A4 (LTA4) into leukotriene B4 (LTB4), one of the most potent chemotactic agents involved in acute and chronic inflammatory diseases. In this reaction, LTA4H acts as an epoxide […]
Understanding how reticulocyte 15-lipoxygenase-1 catalyzes the production of lipoxins in the 5(S),15(S)-DiHpETE biosynthetic pathway Àngels González Lafont Local acute inflammation of living organisms is a defense mechanism in response to tissue injury or against invasion by microbial pathogens. If it gets out of control, it becomes chronic and can lead to a wide range of […]