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Frontiers in Chemistry

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https://www.readbyqxmd.com/read/28443279/analogs-of-the-frog-skin-antimicrobial-peptide-temporin-1tb-exhibit-a-wider-spectrum-of-activity-and-a-stronger-antibiofilm-potential-as-compared-to-the-parental-peptide
#1
Lucia Grassi, Giuseppantonio Maisetta, Giuseppe Maccari, Semih Esin, Giovanna Batoni
The frog skin-derived peptide Temporin 1Tb (TB) has gained increasing attention as novel antimicrobial agent for the treatment of antibiotic-resistant and/or biofilm-mediated infections. Nevertheless, such a peptide possesses a preferential spectrum of action against Gram-positive bacteria. In order to improve the therapeutic potential of TB, the present study evaluated the antibacterial and antibiofilm activities of two TB analogs against medically relevant bacterial species. Of the two analogs, TB_KKG6A has been previously described in the literature, while TB_L1FK is a new analog designed by us through statistical-based computational strategies...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28439515/endogenous-retroviruses-with-us-and-against-us
#2
REVIEW
Thomas J Meyer, Jimi L Rosenkrantz, Lucia Carbone, Shawn L Chavez
Mammalian genomes are scattered with thousands of copies of endogenous retroviruses (ERVs), mobile genetic elements that are relics of ancient retroviral infections. After inserting copies into the germ line of a host, most ERVs accumulate mutations that prevent the normal assembly of infectious viral particles, becoming trapped in host genomes and unable to leave to infect other cells. While most copies of ERVs are inactive, some are transcribed and encode the proteins needed to generate new insertions at novel loci...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28424769/folates-in-plants-research-advances-and-progress-in-crop-biofortification
#3
REVIEW
Vera Gorelova, Lars Ambach, Fabrice Rébeillé, Christophe Stove, Dominique Van Der Straeten
Folates, also known as B9 vitamins, serve as donors and acceptors in one-carbon (C1) transfer reactions. The latter are involved in synthesis of many important biomolecules, such as amino acids, nucleic acids and vitamin B5. Folates also play a central role in the methyl cycle that provides one-carbon groups for methylation reactions. The important functions fulfilled by folates make them essential in all living organisms. Plants, being able to synthesize folates de novo, serve as an excellent dietary source of folates for animals that lack the respective biosynthetic pathway...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28401146/effects-of-bunch-rot-botrytis-cinerea-and-powdery-mildew-erysiphe-necator-fungal-diseases-on-wine-aroma
#4
Angela Lopez Pinar, Doris Rauhut, Ernst Ruehl, Andrea Buettner
This study aimed to characterize the effects of bunch rot and powdery mildew on the primary quality parameter of wine, the aroma. The influence of these fungal diseases was studied by comparative Aroma Extract Dilution Analyses (AEDA) and sensory tests. The effect of bunch rot was investigated on three grape varieties, namely White Riesling, Red Riesling and Gewürztraminer and that of powdery mildew on the hybrid Gm 8622-3; thereby, samples were selected that showed pronounced cases of infection to elaborate potential currently unknown effects...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28401145/porous-and-magnetic-molecularly-imprinted-polymers-via-pickering-high-internal-phase-emulsions-polymerization-for-selective-adsorption-of-%C3%AE-cyhalothrin
#5
Yunlong Wu, Yue Ma, Jianming Pan, Runxing Gu, Jialu Luo
A novel macroporous magnetic molecularly imprinted polymer (MMIPs) of was prepared by W/O Pickering (high internal phase emulsions) HIPEs polymerization, and then it was adopted as adsorbent for selective adsorption of λ-cyhalothrin (LC). In static conditions, adsorption capacity of LC increased rapidly in the first 60 min and reached to equilibrium in ~2.0 h. Excellent conformity of the second-order model confirmed the chemical nature of the interaction between the LC and imprinted sites. The fitting adsorption isotherm was a Langmuir type, and the maximum monolayer adsorption capacity at 298 K was 404...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28401144/insights-into-the-activity-change-of-spore-photoproduct-lyase-induced-by-mutations-at-a-peripheral-glycine-residue
#6
Linlin Yang, Lei Li
UV radiation triggers the formation of 5-thyminyl-5,6-dihydrothymine, i.e., the spore photoproduct (SP), in the genomic DNA of bacterial endospores. These SPs, if not repaired in time, may lead to genome instability and cell death. SP is mainly repaired by spore photoproduct lyase (SPL) during spore outgrowth via an unprecedented protein-harbored radical transfer pathway that is composed of at least a cysteine and two tyrosine residues. This mechanism is consistent with the recently solved SPL structure that shows all three residues are located in proximity and thus able to participate in the radical transfer process during the enzyme catalysis...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28393065/why-aromaticity-is-a-suspicious-concept-why
#7
Miquel Solà
No abstract text is available yet for this article.
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28386537/revealing-a-novel-otubain-like-enzyme-from-leishmania-infantum-with-deubiquitinating-activity-toward-k48-linked-substrate
#8
Clênia S Azevedo, Bruna C Guido, Jhonata L Pereira, Diego O Nolasco, Rafael Corrêa, Kelly G Magalhães, Flávia N Motta, Jaime M Santana, Philippe Grellier, Izabela M D Bastos
Deubiquitinating enzymes (DUBs) play an important role in regulating a variety of eukaryotic processes. In this context, exploring the role of deubiquitination in Leishmania infantum could be a promising alternative to search new therapeutic targets for leishmaniasis. Here we present the first characterization of a DUB from L. infantum, otubain (OtuLi), and its localization within parasite. The recombinant OtuLi (rOtuLi) showed improved activity on lysine 48 (K48)-linked over K63-linked tetra-ubiquitin (Ub) and site-directed mutations on amino acids close to the catalytic site (F82) or involved in Ub interaction (L265 and F182) caused structural changes as shown by molecular dynamics, resulting in a reduction or loss of enzyme activity, respectively...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28382299/effects-of-high-temperature-frying-of-spinach-leaves-in-sunflower-oil-on-carotenoids-chlorophylls-and-tocopherol-composition
#9
Alam Zeb, Parveen Nisar
Spinach is one of the highly consumed vegetable, with significant nutritional, and beneficial properties. This study revealed for the first time, the effects of high temperature frying on the carotenoids, chlorophylls, and tocopherol contents of spinach leaves. Spinach leaves were thermally processed in the sunflower oil for 15, 30, 45, and 60 min at 250°C. Reversed phase HPLC-DAD results revealed a total of eight carotenoids, four chlorophylls and α-tocopherol in the spinach leaves. Lutein, neoxanthin, violaxanthin, and β-carotene-5,6-epoxide were the major carotenoids, while chlorophyll a and b' were present in higher amounts...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28377919/tb-3-cleavage-assays-reveal-specific-mg-2-binding-sites-necessary-to-pre-fold-the-btub-riboswitch-for-adocbl-binding
#10
Pallavi K Choudhary, Sofia Gallo, Roland K O Sigel
Riboswitches are RNA elements that bind specific metabolites in order to regulate the gene expression involved in controlling the cellular concentration of the respective molecule or ion. Ligand recognition is mostly facilitated by Mg(2+) mediated pre-organization of the riboswitch to an active tertiary fold. To predict these specific Mg(2+) induced tertiary interactions of the btuB riboswitch from E. coli, we here report Mg(2+) binding pockets in its aptameric part in both, the ligand-free and the ligand-bound form...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28373972/in-vivo-efficacy-and-pharmacokinetics-of-optimized-apidaecin-analogs
#11
Rico Schmidt, Daniel Knappe, Elisabeth Wende, Eszter Ostorházi, Ralf Hoffmann
Proline-rich antimicrobial peptides (PrAMPs) represent promising alternative therapeutic options for the treatment of multidrug-resistant bacterial infections. PrAMPs are predominantly active against Gram-negative bacteria by inhibiting protein expression via at least two different modes of action, i.e., blocking the ribosomal exit tunnel of 70S ribosomes (oncocin-type binding) or inhibiting the assembly of the 50S ribosomal subunit (apidaecin-type binding). The in vivo efficacy and favorable biodistribution of oncocins confirmed the therapeutic potential of short PrAMPs for the first time, whereas the in vivo evaluation of apidaecins is still limited despite the promising efficacy of apidaecin-analog Api88 in an intraperitoneal murine infection model...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28361051/on-the-role-of-additional-4fe-4s-clusters-with-a-free-coordination-site-in-radical-sam-enzymes
#12
REVIEW
Etienne Mulliez, Victor Duarte, Simon Arragain, Marc Fontecave, Mohamed Atta
The canonical CysXXXCysXXCys motif is the hallmark of the Radical-SAM superfamily. This motif is responsible for the ligation of a [4Fe-4S] cluster containing a free coordination site available for SAM binding. The five enzymes MoaA, TYW1, MiaB, RimO and LipA contain in addition a second [4Fe-4S] cluster itself bound to three other cysteines and thus also displaying a potentially free coordination site. This review article summarizes recent important achievements obtained on these five enzymes with the main focus to delineate the role of this additional [4Fe-4S] cluster in catalysis...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28361050/conceptual-dft-descriptors-of-amino-acids-with-potential-corrosion-inhibition-properties-calculated-with-the-latest-minnesota-density-functionals
#13
Juan Frau, Daniel Glossman-Mitnik
Amino acids and peptides have the potential to perform as corrosion inhibitors. The chemical reactivity descriptors that arise from Conceptual DFT for the twenty natural amino acids have been calculated by using the latest Minnesota family of density functionals. In order to verify the validity of the calculation of the descriptors directly from the HOMO and LUMO, a comparison has been performed with those obtained through ΔSCF results. Moreover, the active sites for nucleophilic and electrophilic attacks have been identified through Fukui function indices, the dual descriptor Δf(r) and the electrophilic and nucleophilic Parr functions...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28344971/how-to-train-a-cell-cutting-edge-molecular-tools
#14
REVIEW
Jakub Czapiński, Michał Kiełbus, Joanna Kałafut, Michał Kos, Andrzej Stepulak, Adolfo Rivero-Müller
In biological systems, the formation of molecular complexes is the currency for all cellular processes. Traditionally, functional experimentation was targeted to single molecular players in order to understand its effects in a cell or animal phenotype. In the last few years, we have been experiencing rapid progress in the development of ground-breaking molecular biology tools that affect the metabolic, structural, morphological, and (epi)genetic instructions of cells by chemical, optical (optogenetic) and mechanical inputs...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28321394/computational-studies-on-optoelectronic-and-nonlinear-properties-of-octaphyrin-derivatives
#15
Nasarul Islam, Irfan H Lone
The electronic and nonlinear optical (NLO) properties of octaphyrin derivatives were studied by employing the DFT/TDFT at CAM-B3LYP/6-311++G (2d, 2p) level of the theory. Thiophene, phenyl, methyl and cyano moieties were substituted on the molecular framework of octaphyrin core, in order to observe the change in optoelectronic and nonlinear response of these systems. The frontier molecular orbital studies and values of electron affinity reveals that the studied compounds are stable against the oxygen and moisture present in air...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28286746/dota-derivatives-of-octreotide-dicarba-analogs-with-high-affinity-for-somatostatin-sst2-5-receptors
#16
Alessandro Pratesi, Mauro Ginanneschi, Marco Lumini, Anna M Papini, Ettore Novellino, Diego Brancaccio, Alfonso Carotenuto
In vivo somatostatin receptor scintigraphy is a valuable method for the visualization of human endocrine tumors and their metastases. In fact, peptide ligands of somatostatin receptors (sst's) conjugated with chelating agents are in clinical use. We have recently developed octreotide dicarba-analogs, which show interesting binding profiles at sst's. In this context, it was mandatory to explore the possibility that our analogs could maintain their activity also upon conjugation with DOTA. In this paper, we report and discuss the synthesis, binding affinity and conformational preferences of three DOTA-conjugated dicarba-analogs of octreotide...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28271059/silver-nanoparticles-technological-advances-societal-impacts-and-metrological-challenges
#17
REVIEW
Bryan Calderón-Jiménez, Monique E Johnson, Antonio R Montoro Bustos, Karen E Murphy, Michael R Winchester, José R Vega Baudrit
Silver nanoparticles (AgNPs) show different physical and chemical properties compared to their macroscale analogs. This is primarily due to their small size and, consequently, the exceptional surface area of these materials. Presently, advances in the synthesis, stabilization, and production of AgNPs have fostered a new generation of commercial products and intensified scientific investigation within the nanotechnology field. The use of AgNPs in commercial products is increasing and impacts on the environment and human health are largely unknown...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28271058/peptides-with-dual-antimicrobial-and-anticancer-activities
#18
REVIEW
Mário R Felício, Osmar N Silva, Sônia Gonçalves, Nuno C Santos, Octávio L Franco
In recent years, the number of people suffering from cancer and multi-resistant infections has increased, such that both diseases are already seen as current and future major causes of death. Moreover, chronic infections are one of the main causes of cancer, due to the instability in the immune system that allows cancer cells to proliferate. Likewise, the physical debility associated with cancer or with anticancer therapy itself often paves the way for opportunistic infections. It is urgent to develop new therapeutic methods, with higher efficiency and lower side effects...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28197402/suicide-inhibition-of-cytochrome-p450-enzymes-by-cyclopropylamines-via-a-ring-opening-mechanism-proton-coupled-electron-transfer-makes-a-difference
#19
Xiaoqian Zhang, Xiao-Xi Li, Yufang Liu, Yong Wang
N-benzyl-N-cyclopropylamine (BCA) has been attracting great interests for decades for its partial suicide inactivation role to cytochrome P450 (P450) via a ring-opening mechanism besides acting as a role of normal substrates. Understanding the mechanism of such partial inactivation is vital to the clinical drug design. Thus, density functional theoretical (DFT) calculations were carried out on such P450-catalyzed reactions, not only on the metabolic pathway, but on the ring-opening inactivation one. Our theoretical results demonstrated that, in the metabolic pathway, besides the normal carbinolamine, an unexpected enamine was formed via the dual hydrogen abstraction (DHA) process, in which the competition between rotation of the H-abstracted substrate radical and the rotation of hydroxyl group of the protonated Cpd II moiety plays a significant role in product branch; In the inactivation pathway, the well-noted single electron transfer (SET) mechanism-involved process was invalidated for its high energy barrier, a proton-coupled electron transfer [PCET(ET)] mechanism plays a role...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28184370/metaproteomics-as-a-complementary-approach-to-gut-microbiota-in-health-and-disease
#20
REVIEW
Bernardo A Petriz, Octávio L Franco
Classic studies on phylotype profiling are limited to the identification of microbial constituents, where information is lacking about the molecular interaction of these bacterial communities with the host genome and the possible outcomes in host biology. A range of OMICs approaches have provided great progress linking the microbiota to health and disease. However, the investigation of this context through proteomic mass spectrometry-based tools is still being improved. Therefore, metaproteomics or community proteogenomics has emerged as a complementary approach to metagenomic data, as a field in proteomics aiming to perform large-scale characterization of proteins from environmental microbiota, such as the human gut...
2017: Frontiers in Chemistry
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