A5045254481- Enzyme Structure and Function
- Protein Structure and Dynamics
- RNA and protein synthesis mechanisms
- Photosynthetic Processes and Mechanisms
- Catalytic Processes in Materials Science
- Amino Acid Enzymes and Metabolism
- Cell death mechanisms and regulation
- Metabolism and Genetic Disorders
- Genomics, phytochemicals, and oxidative stress
- RNA Interference and Gene Delivery
- Advanced biosensing and bioanalysis techniques
- Porphyrin Metabolism and Disorders
- Advanced Chemical Physics Studies
- Machine Learning in Materials Science
- Light effects on plants
- Microplastics and Plastic Pollution
- biodegradable polymer synthesis and properties
- Effects and risks of endocrine disrupting chemicals
Universidad de Zaragoza
2019-2025
Universitat Jaume I
2021
The environmental problems derived from the generalized plastic consumption and disposal could find a friendly solution in enzymatic biodegradation. Recently, two hydrolases Ideonella sakaiensis 201-F6 metagenome-derived leaf-branch compost cutinase (LCC), more specially improved ICCG variant, have revealed degradation activity toward poly ethylene terephthalate (PET). In present study, reaction mechanism of this polymer breakage is studied at an atomic level by multiscale QM/MM molecular...
The human NQO1 (hNQO1) is a flavin adenine nucleotide (FAD)-dependent oxidoreductase that catalyzes the two-electron reduction of quinones to hydroquinones, being essential for antioxidant defense system, stabilization tumor suppressors, and activation quinone-based chemotherapeutics. Moreover, it overexpressed in several tumors, which makes an attractive cancer drug target. To decipher new structural insights into reductive half-reaction catalytic mechanism hNQO1, we have carried serial...
Abstract The Apoptosis-Inducing Factor (AIF) is a moonlighting flavoenzyme involved in the assembly of mitochondrial respiratory complexes healthy cells, but also able to trigger DNA cleavage and parthanatos. Upon apoptotic-stimuli, AIF redistributes from mitochondria nucleus, where upon association with other proteins such as endonuclease CypA histone H2AX, it proposed organize DNA–degradosome complex. In this work, we provide evidence for molecular complex well cooperative effects among...
Enzymes catalysing sequential reactions have developed different mechanisms to control the transport and flux of reactants intermediates along metabolic pathways, which usually involve direct transfer metabolites from an enzyme next one in a cascade reaction. Despite fact that metabolite or substrate channelling has been widely studied for reactant molecules, such information is seldom available cofactors general, flavins particular. Flavin adenine dinucleotide (FAD) flavin mononucleotide...
Catalytic systems based on sub-nanoclusters deposited over different supports are promising for very relevant chemical transformations such as many electrocatalytic processes the ORR. These have been demonstrated to be fluxional, they able change shape and interconvert between each other either alone or in presence of adsorbates. In addition, an accurate representation their catalytic activity requires consideration ensemble effects not a single structure alone. this sense, reliable...
ABSTRACT The human NQO1 (hNQO1) is a FAD-dependent oxidoreductase that catalyzes the two-electron reduction of quinones to hydroquinones, being essential for antioxidant defense system, stabilization tumor suppressors, and activation quinone-based chemotherapeutics, it over-expressed in several tumors, which makes an attractive cancer drug target. To decipher new structural insights into flavin reductive half-reaction catalytic mechanism hNQO1, we have carried serial crystallography...