A novel hydrogel scaffold for bone regeneration based on chitosan, selected its biocompatibility, biodegradability, and antimicrobial properties, was covalently functionalized with a bioactive peptide from morphogenetic protein-2 (BMP-2) to guide osteoblast growth proliferation. This study evaluates the impact of incorporating different concentrations (8, 16, or 24% wt/wt) plant-based micro-fibrillated cellulose tunicate nanocellulose improve mechanical biological properties peptide-grafted...

Abstract In this paper we describe the design, synthesis, and spectroscopic characterization of a covalent helix–heme–helix sandwich named Fe III mimochrome I. It contains deuterohemin bound through both propionyl groups to two identical N ‐and C ‐terminal protected nonapeptides as α‐helical scaffolds. Each peptide moiety bears His residue in central position, which acts axial ligand metal ion. The newly developed synthetic strategy is based on combination solution solid‐phase methodologies....

Inflammation of intestinal tissue in patients affected by celiac disease (CD) originates from the adaptive and innate immune responses elicited undigested gliadin fragments through molecular mechanisms not yet completely described. Undigested A-gliadin peptide P31-43 is central to CD pathogenesis, entering enterocytes vesicular compartments endocytosis inducing an response mucosa. This study focused on reasons why does behave as immunogenic agent. Once obtained NMR analysis,...

Abstract Fe III mimochrome I is the prototype of a new class hemoprotein models characterized by covalent helix–heme–helix sandwich. It contains deuterohemin bound through two propionyl groups to identical N ‐ and C ‐terminal protected α‐helical nonapeptides, each which bears His residue (a potential axial lig‐and iron ion) in central position. In order understand better three‐dimensional structure its correlation with spectral properties, we have fully diamagnetic parent compound Co...

Abstract In the present paper we describe synthesis, purification, single crystal x‐ray analysis, and solution conformational characterization of cyclic tetrapeptide cyclo ‐ ( L ‐Pro‐γ‐Ala‐ ‐Pro‐γ‐Ala). This peptide was synthesized by classical methods cyclization free accomplished in good yields diluted methylene chloride using N, N‐dicyclohexyl‐carbodiimide (DCCI). The compound crystallizes orthorombic space group P2 1 2 from ethyl acetate. All bonds are trans . molecular conformation is...

The increasing resistance of fungi to conventional antifungal drugs has prompted worldwide the search for new compounds. In this work, we investigated properties acylated Temporin L derivatives, Pent-1B and Dec-1B, against Candida albicans, including multidrug-resistant strains. Acylated peptides resulted be active both on reference clinical strains with MIC values ranging from 6.5 26 µM, they did not show cytotoxicity human keratinocytes. addition, also observed a synergistic or additive...

ABSTRACT PonA2 is one of the two class A penicillin binding proteins Mycobacterium tuberculosis , etiologic agent tuberculosis. It plays a complex role in mycobacterial physiology and spotted as promising target for inhibitors. involved adaptation M. to dormancy, an ability which has been attributed presence its sequence C‐terminal PASTA domain. Since modules are typically considered β‐lactam antibiotic domains, we determined solution structure domain from analyzed properties versus plethora...

Aquaporins (AQPs) are among the best structural-characterized membrane proteins, fulfilling role of allowing water flux across cellular membranes. Thus far, 34 single amino acid polymorphisms have been reported in HUMSAVAR for human aquaporins as disease-related. They affect AQP2, AQP5 and AQP8, where they associated with nephrogenic diabetes insipidus, keratoderma colorectal cancer, respectively. For half these mutations, although mostly experimentally characterized their dysfunctional...

Worldwide, over 20 million patients suffer from bone disorders annually. Bone scaffolds are designed to integrate into host tissue without causing adverse reactions. Recently, chitosan, an easily available natural polymer, has been considered a suitable scaffold for growth as it is biocompatible, biodegradable, and non-toxic material with antimicrobial activity osteoinductive capacity. In this work, chitosan was covalently selectively biofunctionalized two suitably bioactive synthetic...

Abstract Self‐complementary synthetic peptides, composed by 8 and 16 residues, were analyzed CD, NMR small angle neutron scattering (SANS) techniques in order to investigate the relevance of charge hydrophobic interactions determining their self‐assembling properties. All sequences are potentially able form fibrils membranes as they share, with prototype EAK16, a strictly alternating arrangement polar nonpolar residues. We find that 16‐mer peptides show higher propensities than 8‐mer analogs...

Abstract Nodal, a member of the transforming growth factor‐β superfamily, is potent embryonic morphogen also implicated in tumor progression. Up to date structural information on interaction Nodal with its molecular partners are unknown. To deepen our understanding about mechanisms underlying both development and Nodal/Cripto‐dependent progression, we present here model activin receptor‐like kinase 4/Cripto/Nodal complex built by homology modeling as well docking tests aimed at identifying...

Bone morphogenetic proteins (BMPs) play a key role in bone and cartilage formation. For these properties, BMPs are employed the field of tissue engineering to induce regeneration damaged tissues. To overcome drawbacks due use entire proteins, synthetic peptides derived from their parent have come out as promising molecules for biomaterial design. On structural ground experimental BMP-2 receptor complexes reported literature, we designed three peptides, reproducing region responsible binding...

Ferric iron is an essential nutrient for bacterial growth. Pathogenic bacteria synthesize iron-chelating entities known as siderophores to sequestrate ferric from host organisms in order colonize and replicate. The development of antimicrobial peptides (AMPs) conjugated chelators represents a promising strategy reducing the availability, inducing death, enhancing simultaneously efficacy AMPs. Here we designed, synthesized, characterized three hydroxamate-based Pep-cyc1, Pep-cyc2, Pep-cyc3,...

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Platinum(II) olefin compounds [PtMe(N,N′-imino, amide)(η2-olefin)] have been found to dimerize spontaneously in solution, yielding dinuclear complexes through an oxidative coupling. The extended conjugation within the molecules produces intense blue color, and properties of investigated NMR spectroscopy, optical measurements, theoretical calculations. solid-state structure a representative compound has solved.

Gluten fragments released in gut of celiac individuals activate the innate or adaptive immune systems. The molecular mechanisms associated with response involve a series immunodominant gluten peptides which are mainly recognized by human leucocyte antigen (HLA)-DQ2.5 and HLA-DQ8. Other peptides, such as A-gliadin P31-43, not HLA trigger responses several routes yet well detailed. Among known to be active Celiac disease, here we focus on properties all tri-dimensional structure either those...

Chitosan (CS) is a polysaccharide obtainable by the deacetylation of chitin, which highly available in nature and consequently low-cost. already used biomedical field (e.g., guides for nerve reconstruction) has been proposed as biomaterial tissue regeneration different body districts, including bone tissue. The interest chitosan stems from its ease functionalization due to presence reactive groups, antibacterial properties, processing obtain porous matrices, inherent similarity...

We report here the rational design, synthesis and structural characterization in solid state solution of most potent selective peptide-based Neurokinin A (NKA) antagonist, thus far described. predicted bioactive conformation known NKA antagonist cyclo(-Met1-Gln2-Trp3-Phe4-Gly5-Leu6-) by comparison with structures other cyclohexapeptides. On this basis we designed a highly constrained peptide molecule corresponding to bicyclic hexapeptide containing two rings 14 atoms, namely...

Phallotoxins are toxic compounds produced by poisonous mushroom Amanita phalloides and belong to the class of bicyclic peptides with a transannular thioether bridge. Their intoxication mechanism in liver involves specific binding toxins F-actin that, consequently, prevents depolymerization equilibrium G-actin. Even though conformational features phallotoxins have been worked out solution, exact interaction is still unknown. In this study phalloidin synthetic derivative,...

Nodal, a member of the TGF-β superfamily, is potent embryonic morphogen also implicated in tumor progression. As for other TGF-βs, it triggers signaling functions through interaction with extracellular domains type I and II serine/threonine kinase receptors co-receptor Cripto. Recently, we reported molecular models Nodal complex its (ALK4 ALK7) as well Cripto, obtained by homology modeling docking simulations. From such models, potential binding epitopes have been identified. To validate...

Bicyclic peptides assembled around small organic scaffolds are gaining an increasing interest as new potent, stable and highly selective therapeutics because of their uncommon ability to specifically recognize protein targets, size that favor tissue penetration the versatility easiness synthesis. We have here rationally designed bicyclic a common tri-bromo-methylbenzene moiety in order mimic structure CFC domain oncogene Cripto-1 and, more specifically, orient most fruitful way hot spot...

Antimicrobial resistance has significantly increased over the last 30 years, prompting scientists to continuously look for novel, effective ways combat drug-resistant bacteria and fungi. Due their broad range of effectiveness, ease synthesis, ability avoid resistance, antimicrobial peptides (AMPs) represent a potential approach. The direct investigation metal effects on peptide activity not received much attention. Divalent ions such as Zn(II), Cu(II), Ni(II), Fe(II) do, in fact, influence...