A5041567883- Carbohydrate Chemistry and Synthesis
- Glycosylation and Glycoproteins Research
- Long-Term Effects of COVID-19
- Psychosomatic Disorders and Their Treatments
- Molecular spectroscopy and chirality
- Microbial Metabolites in Food Biotechnology
- Synthesis of Organic Compounds
- Ergonomics and Musculoskeletal Disorders
- Enzyme Production and Characterization
- Legume Nitrogen Fixing Symbiosis
- Chemical Synthesis and Analysis
- Protein Structure and Dynamics
- Asymmetric Synthesis and Catalysis
- Biochemical and Molecular Research
- Toxin Mechanisms and Immunotoxins
- Crystallization and Solubility Studies
- Signaling Pathways in Disease
- Phytochemical compounds biological activities
- Spectroscopy and Quantum Chemical Studies
- Galectins and Cancer Biology
- X-ray Diffraction in Crystallography
- Molecular Spectroscopy and Structure
- Analytical Chemistry and Chromatography
- Fibromyalgia and Chronic Fatigue Syndrome Research
- Plant-derived Lignans Synthesis and Bioactivity
Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
2023-2025
University of Chemistry and Technology, Prague
2015-2022
The use of quantum mechanical potentials in protein–ligand affinity prediction is becoming increasingly feasible with growing computational power. To move forward, validation such on real-world challenges necessary. this end, we have collated an extensive set over a thousand galectin inhibitors known affinities and docked them into galectin-3. poses were then used to systematically evaluate several modern force fields semiempirical (SQM) methods up the tight-binding level under consistent...
Abstract This work reports a modular and rapid approach to the stereoselective synthesis of variety α‐ β‐(1→2)‐linked C ‐disaccharides. The key step is Ni‐catalyzed cross‐coupling reaction D ‐glucal pinacol boronate with alkyl halide glycoside easily prepared from commercially available ‐glucal. products this sp 2 –sp 3 can be converted glucopyranosyl, mannopyranosyl, or 2‐deoxy‐glucopyranosyl ‐mannopyranosides by one‐ two‐step oxidative–reductive transformations. To best our knowledge, we...
The development of effective protection strategies is essential in the synthesis complex carbohydrates and glycomimetics. This article describes a versatile four-stage protocol for α- or β-aryl-C-glycosides from unprotected d-glycals using two acetal protecting groups, ethoxyethyl methoxypropyl, which are stable under harsh basic conditions convenient C-1 metalation glycals. Their stability was investigated subsequent cross-coupling reactions with 1-iodonaphthalene followed by...
Abstract Access to unprotected (hetero)aryl pseudo‐ C ‐glucosides via a mild Pd‐catalysed Hiyama cross‐coupling reaction of protecting‐group‐free 1‐diisopropylsilyl‐ d ‐glucal with various halides has been developed. In addition, selected were stereoselectively converted into the corresponding α‐ and β‐ ‐glucosides, as well 2‐deoxy‐β‐ ‐glucosides. This methodology was applied efficient high‐yielding synthesis dapagliflozin, medicament used treat type 2 diabetes mellitus. Finally, versatility...
Lithiation of 2-oxyglycals enabled the synthesis silicon-bridged (1→1)-disaccharide analogs. The properties this group unusual novel compounds were investigated by a combination spectroscopy and in silico modelling.
Abstract The key step comprises a Ni‐catalyzed cross‐coupling reaction of D‐glucal pinacol boronate with alkylbromide or alkyliodide glycoside, thus representing the first example for challenging sp 2 —sp 3 in carbohydrate chemistry.
In aryl C-glycosides, the glycosidic bond is changed to a carbon-carbon bond. They are an important family of biologically active compounds. often serve as secondary metabolites or have antibiotic and cytostatic activity. Their stability hydrolysis made them attractive targets for new drugs. conformational behavior strongly influences resulting function. detailed structural description therefore highly desirable.In this work, we studied structure three different naphthyl C-glycosides using...
Abstract Invited for the cover of this issue is Kamil Parkan and co‐workers at University Chemistry Technology Institute Organic Biochemistry, Prague. The graphic depicts a schematic representation assembly aryl‐ C ‐glycosides based on protecting‐group‐free Hiyama reaction. Read full text article 10.1002/chem.202101052 .