Chemistry and Biology of Retinoids
“Chemical mutagenesis” of retinal(ol) to provide tools for biological evaluation through stereoselective palladium-catalyzed cross-coupling reactions. These analogues are then used on collaborations to help understand:
a) Retinal and retinoid metabolism
b) Vision in vertebrates
c) Bacterial photopigments
d) Nuclear receptor biology through the design and synthesis of selective modulators.
Stereocontrolled Synthesis of Carotenoids and Related Polyenes
Convergent approaches to both the side-chain and the rings of complex carotenoids decorated with functional groups and stereocenters including allene axis.
Design and Synthesis of Epigenetic Modulators Based on Natural Products
Development of novel epigenetic drugs targeting HDACs, HATs, PRMTs and DNMTs using two structure-based general approaches to drug design and development:
a) virtual ligand screening (VLS) of large libraries of drug-like molecules following modeling of the receptor-ligand interaction complexes and selection of leads;
b) focused-library development of libraries based on VS or in privileged structures inspired in natural products already reported as epigenetic modulators.
Computational Analysis of Pericyclic and Other Concerted Reactions
Characterization of pericyclic and pseudopericyclic electrocyclic ring closure reactions, in particular of charged species (carbocations, carbanions) and the mechanism of the chirality transfer.
Computational Analysis of Organometallic Catalytic Processes
The Pd-catalyzed and Zn-promoted intramolecular propargylation of carbonyl compounds.