A5084188691- Chemical Synthesis and Analysis
- Click Chemistry and Applications
- Carbohydrate Chemistry and Synthesis
- Antimicrobial Peptides and Activities
- Asymmetric Synthesis and Catalysis
- Supramolecular Self-Assembly in Materials
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Photoreceptor and optogenetics research
- Biochemical and Structural Characterization
- Synthetic Organic Chemistry Methods
- Computational Drug Discovery Methods
- Organophosphorus compounds synthesis
- Origins and Evolution of Life
- Molecular spectroscopy and chirality
- Glycosylation and Glycoproteins Research
- Synthesis and Reactions of Organic Compounds
- Synthesis and Reactivity of Heterocycles
- Synthesis and Reactivity of Sulfur-Containing Compounds
- Monoclonal and Polyclonal Antibodies Research
- Peptidase Inhibition and Analysis
- Gene Regulatory Network Analysis
- Lipid Membrane Structure and Behavior
- Neuropeptides and Animal Physiology
- Bacteriophages and microbial interactions
University of Szeged
2015-2024
Hungarian Research Network
2022-2023
University of Regensburg
2012
Eötvös Loránd University
2006-2010
HUN-REN Szegedi Biológiai Kutatóközpont
2005-2006
Hungarian Academy of Sciences
1996-2006
Institute of Biochemistry
2005-2006
University of Toronto
2004
University of Turku
1999-2004
University of Potsdam
2004
The construction of bioactive peptides using β-amino acid-containing sequence patterns is a very promising strategy to obtain analogues that exhibit properties high interest for medicinal chemistry applications. β-Amino acids have been shown modulate the conformation, dynamics, and proteolytic susceptibility native peptides. They can be either combined with α-amino by following specific patterns, which results in backbone architectures well-defined orientations side chain functional groups,...
Rational control over helix and strand secondary structures is possible when conformationally restricted cyclic β-amino acid residues are incorporated in the β-peptides. Inversion of relative configuration these enables preferred periodic structure to be switched from a single nonpolar (see picture). Supporting information for this article available on WWW under http://www.angewandte.com or author. Please note: The publisher not responsible content functionality any supporting supplied by...
Abstract The aim of this work was to answer the question whether general amber force field (GAFF) is good enough simulate fully hydrated POPC membrane bilayers. test system contained 128 and 2985 TIP3P water molecules. equilibration carried out in a nonarbitrary manner reach stable liquid‐crystalline phase. simulations were performed by using particle mesh Ewald electrostatics implemented molecular dynamics packages Amber8 (NPT ensembles) NAMD2 (NPγT ensembles). computational results...
Heterochiral homo-oligomers with alternating backbone configurations were constructed by using the different enantiomers of cis- and trans-2-aminocyclopentanecarboxylic acid (ACPC) monomers. Molecular modeling spectroscopic techniques (NMR, ECD, VCD) unequivocally proved that heterochiral cis-ACPC sequences form an H10/12 helix, where extra stabilization can be achieved via cyclic side chains. The ECD TEM measurements, together molecular modeling, revealed trans-ACPC oligomers tend to attain...
Abstract Assembly language : The programmed sequences of stereochemical building blocks lead to novel biomimetic helices. rational design approach offers new possibilities for creating periodic secondary structures. magnified image
In control: The secondary structure dependent self-assembly of β-peptides in solution proves that natural biopolymers are not unique their highly structured conformational behavior. Stereochemically controlled structural units β-peptide strands and helices intrinsically self-associate into pleated-sheet sandwiches (see picture) helix-bundle membranes, respectively. Supporting information for this article is available on the WWW under...
Abstract From the n ‐hexane fraction of fruits Vitex agnus‐castus , two labdane‐type diterpenes, vitetrifolin B and C, were isolated by means multiple chromatographic separations, together with previously identified rotundifuran, vitexilactone sesquiterpene spathulenol. EtOAc fraction, eupatorin was for first time, besides known casticin, penduletin, vitexin orientin. The ‐hexane, MeOH–H 2 O fractions MeOH extract Agni‐casti fructus subjected to in vitro antioxidant assays. displayed a...
Waterproof: cis-β-Aminocylopentanecarboxylic acid is a highly suitable building block for the synthesis of α,β- and α,α,β,β-peptides that have unique helical structures with high stability in methanol aqueous media. Detailed facts importance to specialist readers are published as "Supporting Information". Such documents peer-reviewed, but not copy-edited or typeset. They made available submitted by authors. Please note: The publisher responsible content functionality any supporting...
Homo-oligomers constructed by using trans-2-aminocyclohexanecarboxylic acid monomers without protecting groups were studied. Both ab initio theory and NMR measurements showed that the tetramer tends to adopt a 10-helix motif, while pentamer hexamer form known 14-helix. It was concluded conformationally constrained backbone is flexible enough afford both 10-helical 14-helical motifs, this observation in turn providing evidence of true folding process. Self-association helical units also...
The ability of the β-peptidic H10/12 helix to tolerate side-chains containing six-membered alicyclic rings was studied. cis-2-Aminocyclohex-3-ene carboxylic acid (cis-ACHEC) residues afforded formation with alternating backbone configuration. Conformational polymorphism observed for cis-ACHC hexamer, where chemical exchange takes place between major left-handed and a minor folded conformation. hydrophobically driven self-assembly achieved cis-ACHC-containing which as vesicles ∼100 nm in diameter.
The absorption of drugs is limited by the epithelial barriers gastrointestinal tract. One strategies to improve drug delivery modulation barrier function targeted opening tight junctions. In our previous study 18-mer amphiphilic PN159 peptide was found be an effective junction modulator on intestinal and blood–brain models. PN159, also known as KLAL or MAP, described interact with biological membranes a cell-penetrating peptide. present work we demonstrated that penetration enhancer has dual...
Targeted covalent inhibitors represent a viable strategy to block protein kinases involved in different disease pathologies. Although number of computational protocols have been published for identifying druggable cysteines, experimental approaches are limited mapping the reactivity and accessibility these residues. Here, we present ligand based approach using toolbox fragment-sized molecules with identical scaffold but equipped diverse warheads. Our library represents unique opportunity...
Multitargeting antibiotics, i.e., single compounds capable of inhibiting two or more bacterial targets, are generally considered to be a promising therapeutic strategy against resistance evolution. The rationale for this theory is that multitargeting antibiotics demand the simultaneous acquisition multiple mutations at their respective target genes achieve significant resistance. presumes individual provide little no benefit host.
The disubstitution effects of X and Y in 1-(Y-phenyl)-3-(X-phenyl)-2,3-dihydro-1H-naphth[1,2-e][1,3]oxazines on the ring-chain tautomerism, delocalization nitrogen lone pair (anomeric effect), (13)C NMR chemical shifts were analyzed by using multiple linear regression analysis. Study three-component equilibrium B<==>A<==>C revealed that chain<==>trans (A<==>B) constants are significantly influenced inductive effect (sigma(F)) substituent 1-phenyl ring. In contrast, no significant dependence...
Background and Aims Unnatural self-organizing biomimetic polymers (foldamers) emerged as promising materials for biomolecule recognition inhibition. Our goal was to construct multivalent foldamer-dendrimer conjugates which wrap the synaptotoxic β-amyloid (Aβ) oligomers with high affinity through their helical foldamer tentacles. Oligomeric Aβ species play pivotal role in Alzheimer's disease, therefore direct inhibition of this undruggable target is a great current challenge. Methods Results...
The principles of β-sheet folding and design for α-peptidic sequences are well established, while those sheet mimetics containing homologated amino acid building blocks still under investigation. To reveal the structure–function relations β-amino-acid-containing foldamers, we followed a top-down approach to study series α/β-peptidic analogs anginex, β-sheet-forming antiangiogenic peptide. Eight anginex were developed by systematic α → β3 substitutions analyzed using NMR CD spectroscopy....
The long-range side-chain repulsion between the (1R,2R,3R,5R)-2-amino-6,6-dimethyl-bicyclo[3.1.1]-heptane-3-carboxylic acid (trans-ABHC) residues stabilize H12 helix in β-peptide oligomers.