A5037312702- Enzyme-mediated dye degradation
- Microbial Metabolic Engineering and Bioproduction
- Plant biochemistry and biosynthesis
- Enzyme Catalysis and Immobilization
- Pharmacogenetics and Drug Metabolism
- Plant Gene Expression Analysis
- Biotin and Related Studies
- Metal-Catalyzed Oxygenation Mechanisms
- Chemical synthesis and alkaloids
- Click Chemistry and Applications
- Electrochemical sensors and biosensors
- Arsenic contamination and mitigation
- Steroid Chemistry and Biochemistry
- Protein purification and stability
- Amino Acid Enzymes and Metabolism
- Electrochemical Analysis and Applications
- Heme Oxygenase-1 and Carbon Monoxide
- Evolution and Genetic Dynamics
- Polyamine Metabolism and Applications
- Computational Drug Discovery Methods
- Antibiotic Resistance in Bacteria
- Advanced Proteomics Techniques and Applications
- Microbial Metabolism and Applications
- Protein Structure and Dynamics
- Fungal and yeast genetics research
Barcelona Supercomputing Center
2015-2020
Universitat Politècnica de Catalunya
2015-2020
FC Barcelona
2019
Anaxomics (Spain)
2015
Abstract Hyperthermophilic (‘superheat-loving’) archaea found in high-temperature environments such as Pyrobaculum aerophilum contain multicopper oxidases (MCOs) with remarkable efficiency for oxidizing cuprous and ferrous ions. In this work, directed evolution was used to expand the substrate specificity of P. McoP organic substrates. Six rounds error-prone PCR DNA shuffling followed by high-throughput screening lead identification a hit variant 220-fold increased ( k cat /K m ) than...
Abstract C -glycosides are natural products with important biological activities but recalcitrant to degradation. Glycoside 3-oxidases (G3Oxs) recently identified bacterial flavo-oxidases from the glucose-methanol-coline (GMC) superfamily that catalyze oxidation of concomitant reduction O 2 H . This is followed by C-C acid/base-assisted bond cleavage in two-step -deglycosylation pathways. Soil and gut microorganisms have different oxidative enzymes, details their catalytic mechanisms largely...
The goal of this study is the selective oxyfunctionalization steroids under mild and environmentally friendly conditions using fungal enzymes. With purpose, peroxygenases from three basidiomycete species were tested for hydroxylation a variety steroidal compounds, H2O2 as only cosubstrate. Two them are wild-type enzymes Agrocybe aegerita Marasmius rotula, third one recombinant enzyme Coprinopsis cinerea. enzymatic reactions on free esterified sterols, steroid hydrocarbons, ketones monitored...
Abstract Aryl alcohol oxidase (AAO) is a fungal flavoenzyme capable of oxidizing aromatic primary alcohols into their correspondent aldehydes through stereoselective hydride abstraction. Unfortunately, this enzyme does not act on secondary benzyl in racemic mixtures due to the strict control substrate diffusion and positioning at active site restricted alcohols. Here we describe engineering AAO from Pleurotus eryngii oxidize chiral with high enantioselectivity. The was remodeled four cycles...
A maximization of a direct electron transfer (DET) between redox enzymes and electrodes can be obtained through the oriented immobilization onto an electroactive surface. Here, strategy for obtaining carbon nanotube (CNTs) based covalently modified with perfectly control-oriented fungal laccases is presented. Modelizations laccase-CNT interaction conduction pathways serve as guide in choosing grafting positions. Homogeneous populations alkyne-modified are reductive amination unique...
Using PELE computational simulations the ability to deracemize secondary benzylic alcohols was introduced (by I500M/F501W double mutation) in stereoselective AAO.
Abstract Aryl-alcohol oxidase (AAO) has demonstrated to be an enzyme with a bright future ahead due its biotechnological potential in deracemisation of chiral compounds, production bioplastic precursors and other reactions interest. Expanding our understanding on the AAO reaction mechanisms, through investigation structure-function relationships, is crucial for exploitation as industrial biocatalyst. In this regard, previous computational studies suggested active role Phe397 at active-site...
Systems featuring a multi-copper oxidase associated with transition-metal complexes can be used to perform oxidation reactions in mild conditions. Here, strategy is presented for achieving controlled orientation of ruthenium-polypyridyl graft at the surface fungal laccase. Laccase variants are engineered unique surface-accessible lysine residues. Distinct ruthenium-polypyridyl-modified laccases obtained by reductive alkylation residues precisely located relative T1 copper centre enzyme. In...
Abstract C -glycosides are natural products with important biological activities but recalcitrant to degradation. Glycoside 3-oxidases (G3Oxs) newly identified bacterial flavo-oxidases from the glucose-methanol-coline (GMC) superfamily that catalyze oxidation of concomitant reduction O 2 H . This is followed by C-C acid/base-assisted bond cleavage in two-step -deglycosylation pathways. Soil and gut microorganisms have different oxidative enzymes, details their catalytic mechanisms largely...
The evolution of new protein functions is dependent upon inherent biophysical features proteins. Whereas, it has been shown that changes in dynamics can occur the course directed molecular trajectories and contribute to function, not known whether varying modify evolution. We investigate this question using three related ß-lactamases displaying differ broadly at slow timescale corresponds catalytic turnover yet have similar fast dynamics, thermal stability, catalytic, substrate recognition...
Leachables in pharmaceutical products may react with biomolecule Active Pharmaceutical Ingredients (APIs) e.g., mAb, peptide, RNA, potentially compromising product safety, efficacy or impacting quality attributes. This investigation explored a series of silico models to screen extractables and leachables assess their possible reactivity biomolecules. These were applied collections known identify functional structural chemical classes likely be flagged by these approaches. Flagged leachable...