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https://www.readbyqxmd.com/read/28445786/metallo-%C3%AE-lactamase-inhibitors-by-bioisosteric-replacement-preparation-activity-and-binding
#1
Susann Skagseth, Sundus Akhter, Marianne H Paulsen, Zeeshan Muhammad, Silje Lauksund, Ørjan Samuelsen, Hanna-Kirsti S Leiros, Annette Bayer
Bacterial resistance is compromising the use of β-lactam antibiotics including carbapenems. The main resistance mechanism against β-lactams is hydrolysis of the β-lactam ring mediated by serine- or metallo-β-lactamases (MBLs). Although several inhibitors of MBLs have been reported, none has been developed into a clinically useful inhibitor. Mercaptocarboxylic acids are among the most prominent scaffolds reported as MBL inhibitors. In this study, the carboxylate group of mercaptocarboxylic acids was replaced with bioisosteric groups like phosphonate esters, phosphonic acids and NH-tetrazoles...
April 14, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28445767/the-visualized-macrocycles-chemistry-and-application-of-fluorophore-tagged-cyclodextrins
#2
Gábor Benkovics, Milo Malanga, Éva Fenyvesi
Cyclodextrins are macrocyclic molecules able to form host-guest complexes due to their hydrophobic cavity. Because of their carbohydrate nature they do not absorb light in the UV-vis region (200-800nm), but they can be converted into spectroscopically active compounds via modification with a chromophore unit. Among the chromophores, the group of fluorophores can provide high sensitivity in analytical applications (chemosensing) and low detection limit in optical imaging methods (fluorescent microscopy). Fluorophore-tagged cyclodextrins therefore combine interesting spectroscopic properties with promising supramolecular features which make these conjugates widely applicable in various pharmaceutical fields...
April 23, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28445749/equilibrium-ensembles-for-insulin-folding-from-bias-exchange-metadynamics
#3
Richa Singh, Rohit Bansal, Anurag Singh Rathore, Gaurav Goel
Earliest events in the aggregation process, such as single molecule reconfiguration, are extremely important and the most difficult to characterize in experiments. To this end, we have used well-tempered bias exchange metadynamics simulations to determine the equilibrium ensembles of an insulin molecule under amyloidogenic conditions of low pH and high temperature. A bin-based clustering method that uses statistics accumulated in bias exchange metadynamics trajectories was employed to construct a detailed thermodynamic and kinetic model of insulin folding...
April 25, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28444565/technological-applications-of-organo-montmorillonites-in-the-removal-of-pyrimethanil-from-water-adsorption-desorption-and-flocculation-studies
#4
Federico M Flores, Tomas Undabeytia, Esmeralda Morillo, Rosa M Torres Sánchez
Pyrimethanil (2-aniline-4, 6-dimethylpyrimidine, PRM) is used in fruit packing plants to control fungal infections and diseases. The effluents greatly polluted with this fungicide, as a point source contamination, need to be technologically treated for their regeneration before they reach water bodies. This work evaluates the use of organo-montmorillonites, synthetized in our laboratory, for their application in adsorption and coagulation/flocculation processes for the removal of PRM from water. The adsorption-desorption performance of PRM in a raw montmorillonite (Mt) and several organo-montmorillonites (organo-Mt) obtained by different amounts and types of exchanged surfactants (octadecyltrimethylammonium (ODTMA) and didodecyldimethylammonium (DDAB) bromides and benzyltrimethylammonium chloride (BTMA)) was studied...
April 25, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28443931/the-effect-of-temperature-composition-and-alcohols-on-the-microstructures-of-catanionic-mixtures-of-sodium-dodecylsulfate-and-cetyltrimethylammonium-bromide-in-water
#5
S Rajkhowa, S Mahiuddin, J Dey, S Kumar, V K Aswal, R Biswas, J Kohlbrecher, K Ismail
The influence of mixing protocol, composition, temperature, ageing and added alcohols on the characteristics of the microstructures of sodium dodecylsulfate (SDS) + cetyltrimethylammonium bromide (CTAB) mixtures has been investigated in this paper. In this catanionic mixture (1 weight% total surfactant content) temperature induced microstructural transition occurs, which is (i) a micelle-to-vesicle transition (MVT) if αSDS (mole fraction of SDS) = 0.7, 0.8 or 0.9 and (ii) a vesicle-to-micelle transition (VMT) if αSDS = 0...
April 26, 2017: Soft Matter
https://www.readbyqxmd.com/read/28443918/ph-responsiveness-of-hydrogels-formed-by-telechelic-polyampholytes
#6
Margarita A Dyakonova, George Gotzamanis, Bart-Jan Niebuur, Natalya S Vishnevetskaya, Konstantinos N Raftopoulos, Zhenyu Di, Sergey K Filippov, Constantinos Tsitsilianis, Christine M Papadakis
We investigate the influence of pH on the rheological and structural properties of hydrogels formed by hydrophobic association of the sticky ends of the triblock terpolymer poly(methyl methacrylate)-b-poly(2-(diethylamino)ethyl methacrylate-co-methacrylic acid)-b-poly(methyl methacrylate) (PMMA-b-P(DEA-co-MAA)-b-PMMA). The middle block is a weak polyampholyte having a pH dependent charge density and sign, which enables tuning of the rheological and structural properties by pH variation. Small-angle neutron scattering (SANS) studies of solutions in D2O at 0...
April 26, 2017: Soft Matter
https://www.readbyqxmd.com/read/28443387/microwave-activated-carbons-from-tucum%C3%A3-astrocaryum-aculeatum-seed-for-efficient-removal-of-2-nitrophenol-from-aqueous-solutions
#7
Cibele S Umpierres, Pascal S Thue, Eder C Lima, Glaydson S Dos Reis, Irineu A S de Brum, Wagner S de Alencar, Silvio L P Dias, Guilherme L Dotto
Activated carbons (ACs) prepared from tucumã seed (Astrocaryum aculeatum) were used for 2-nitrophenol removal from aqueous solutions. The activated carbons were characterized by elemental analysis, FTIR, N2 adsorption/desorption isotherms, TGA, hydrophobicity/hydrophilicity balance, and total of acidic and basic groups. The ACs showed to have hydrophilic surfaces and they presented high specific surface areas (up to 1318 m(2)g(-1)). In batch optimization studies, maximum removal was obtained at pH 7, contact time of 30 min, adsorbent dosage 1...
April 26, 2017: Environmental Technology
https://www.readbyqxmd.com/read/28443362/effect-of-the-side-chain-spacer-structure-on-the-ph-responsive-properties-of-polycarboxylates
#8
Atsushi Harada, Ryoma Teranishi, Eiji Yuba, Kenji Kono
The properties of stimuli-responsive polymers change significantly with changes to their environment, such as temperature and pH. This behavior can be utilized for the preparation of stimuli-responsive carriers for efficient cytosolic delivery of active drugs. Among the possible environmental conditions, pH is one of the most useful stimuli because the pH in an endosome is lower than under physiological conditions, depending on endosomal development. This pH difference is an important factor in the design of pH-responsive polymers, which can be used to enhance the transport of endocytosed drugs from the endosomal compartment to the cytoplasm...
April 26, 2017: Journal of Biomaterials Science. Polymer Edition
https://www.readbyqxmd.com/read/28443331/coupling-between-the-dynamics-of-water-and-surfactants-in-lyotropic-liquid-crystals
#9
Jesse Gatten McDaniel, Arun Yethiraj
Bilayers composed of lipid or surfactant molecules are central to biological membranes and lamellar lyotropic liquid crystalline (LLC) phases. Common to these systems are phases that exhibit either ordered or disordered packing of the hydrophobic tails. In this work, we study the impact of surfactant ordering, i.e., disordered Lα and ordered Lβ LLC phases, on the dynamics of water in the lamellar phases of dicarboxylate gemini surfactants. We study the different phases at identical hydration levels by changing the length of the hydrophobic tails; surfactants with shorter tails form Lα phases and those with longer tails form Lβ phases...
April 26, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28443327/acidity-triggered-tumor-retention-internalization-of-chimeric-peptide-for-enhanced-photodynamic-therapy-and-real-time-monitoring-of-therapeutic-effects
#10
Kai Han, Wei-Yun Zhang, Zhao-Yu Ma, Shi-Bo Wang, Lu-Ming Xu, Jia Liu, Xianzheng Zhang, Heyou Han
Photodynamic therapy (PDT) holds great promise in tumor treatment. Nevertheless, it remains highly desirable to develop easy-to-fabricated PDT systems with improved tumor accumulation/internalization and timely therapeutic feedback. Here, we report a tumor acidity responsive chimeric peptide for enhanced PDT and noninvasively real-time apoptosis imaging. Both in vitro and in vivo studies revealed that tumor mildly acidic microenvironment could trigger rapid protonation of carboxylate anion in chimeric peptide, which led to increased zeta potential, improved hydrophobicity, controlled size enlargement and precise morphology switch from sphere to spherocylinder shape of chimeric peptide...
April 26, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28443032/fatty-acid-binding-protein-11a-is-required-for-brain-vessel-integrity-in-zebrafish
#11
Jie Zhang, Jialing Qi, Shuilong Wu, Lijiao Peng, Yunwei Shi, Jinxian Yang, Zhenhua Yin, Yu Gao, Chengniu Wang, Jie Gong, Haijun Zhang, Jingjing Zhang, Dong Liu
The monolayer of endothelial cells (ECs) lining the intima of all blood vessel wall forms a semipermeable barrier that regulates tissue-fluid homeostasis, transport of nutrients, and migration of blood cells across the barrier. A number of signaling pathways and molecules mediate endothelial permeability, which plays important roles in a variety of the physiological and pathological conditions. Fatty acid binding proteins (FABPs) are able to bind various hydrophobic molecules, such as long-chain fatty acids, prostaglandins and eicosanoids...
2017: Frontiers in Physiology
https://www.readbyqxmd.com/read/28442426/identification-of-a-wza-like-gene-involved-in-capsule-biosynthesis-pathogenicity-and-biofilm-formation-in-riemerella-anatipestifer
#12
Haibo Yi, Biao Yuan, Jibin Liu, Dekang Zhu, Ying Wu, Mingshu Wang, Renyong Jia, Kunfeng Sun, Qiao Yang, Shun Chen, Mafeng Liu, Xiaoyue Chen, Anchun Cheng
Duck infectious serositis is the most serious bacterial disease of ducks. It is caused by Riemerella anatipestifer (RA) infection. The capsule plays an important role in virulence of many pathogenic bacteria. In addition, the capsule has some key biological features. However, few studies have explored the characteristics of the RA capsule. In this study, we mainly constructed a capsular mutants of RA by inactivating the wza gene using homologous recombination. We found that the mutant was failed to produce a capsule layer...
April 22, 2017: Microbial Pathogenesis
https://www.readbyqxmd.com/read/28442412/hsccc-separation-and-enantiomeric-distribution-of-key-volatile-constituents-of-piper-claussenianum-miq-c-dc-piperaceae
#13
André M Marques, Catharina E Fingolo, Maria Auxiliadora C Kaplan
High Speed Countercurrent Chromatography (HSCCC) technique was used for the preparative isolation of the major leishmanicidal compounds from the essential oils of Piper claussenianum species in Brazil. The essential oils from inflorescences of P. claussenianum were analyzed by GC-FID and GC-MS. The enantiomeric ratio of the major constituents of the P. claussenianum essential oils were determined using a Rt-DEXsm chiral capillary column by GC-FID analysis. It was found an enantiomeric excess of (+)-(E)-nerolidol in the leaves, and (+)-linalool and (+)-(E)-nerolidol in the inflorescences essential oil...
April 22, 2017: Food and Chemical Toxicology
https://www.readbyqxmd.com/read/28442379/peripheral-membrane-associations-of-matrix-metalloproteinases
#14
REVIEW
Steven R Van Doren, Tara C Marcink, Rama K Koppisetti, Alexander Jurkevich, Yan G Fulcher
Water soluble matrix metalloproteinases (MMPs) have been regarded as diffusing freely in the extracellular matrix. Yet multiple MMPs are also observed at cell surfaces. Their membrane-proximal activities include sheddase activities, collagenolysis, bacterial killing, and intracellular trafficking reaching as far as the nucleus. The catalytic domains of MMP-7 and MMP-12 bind bilayers peripherally, each in two different orientations, by presenting positive charges and a few hydrophobic groups to the surface. Related peripheral membrane associations are predicted for other soluble MMPs...
April 22, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28442372/long-term-release-and-stability-of-pharmaceutical-proteins-delivered-from-solid-lipid-implants
#15
Moritz Vollrath, Julia Engert, Gerhard Winter
Solid lipid implants (SLIs) prepared by twin-screw (tsc) extrusion represent a promising technology platform for the sustained release of pharmaceutical proteins. In this work, we report on two aspects, long-term release and stability of released protein. First, SLIs were produced by tsc-extrusion containing the low melting triglyceride H12 and the high melting triglyceride Dynasan D118. Two different proteins available in a freeze-dried matrix containing hydroxypropyl-β-cyclodextrine (HP-β-CD) were incorporated into the lipid matrix: a monoclonal antibody (mAb) from the IgG1 class and the fab-fragment Ranibizumab (Lucentis(®))...
April 22, 2017: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/28441731/polyphenolic-compounds-and-digestive-enzymes-in-vitro-non-covalent-interactions
#16
REVIEW
Alejandra I Martinez-Gonzalez, Ángel G Díaz-Sánchez, Laura A de la Rosa, Claudia L Vargas-Requena, Ismael Bustos-Jaimes, And Emilio Alvarez-Parrilla
The digestive enzymes-polyphenolic compounds (PCs) interactions behind the inhibition of these enzymes have not been completely studied. The existing studies have mainly analyzed polyphenolic extracts and reported inhibition percentages of catalytic activities determined by UV-Vis spectroscopy techniques. Recently, pure PCs and new methods such as isothermal titration calorimetry and circular dichroism have been applied to describe these interactions. The present review focuses on PCs structural characteristics behind the inhibition of digestive enzymes, and progress of the used methods...
April 22, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28441657/involvement-of-the-multidrug-and-toxic-compound-extrusion-transporter-in-testosterone-release-from-cultured-pig-leydig-cells
#17
Mitsuhiro Goda, Kana Oda, Atsuko Oda, Naoki Kobayashi, Masato Otsuka
Testosterone is considered to be released from Leydig cells via passive diffusion because of its hydrophobicity; however, the exact mechanism underlying testosterone secretion and the transporter involved are both unknown. Multidrug and toxic compound extrusion (MATE) transporters are predominantly found in the kidneys and liver and are thought to function in the elimination of metabolic organic cations during the final step of excretion in the kidney. In contrast, mMATE2 has been shown to be predominantly expressed in testicular Leydig cells...
April 26, 2017: Pharmacology
https://www.readbyqxmd.com/read/28441580/the-computer-aided-discovery-of-novel-family-of-the-5-ht6-serotonin-receptor-ligands-among-derivatives-of-4-benzyl-1-3-5-triazine
#18
Dorota Łażewska, Rafał Kurczab, Małgorzata Więcek, Katarzyna Kamińska, Grzegorz Satała, Magdalena Jastrzębska-Więsek, Anna Partyka, Andrzej J Bojarski, Anna Wesołowska, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
The work describes a discovery of new chemical family of potent ligands for the 5-HT6 serotonin receptors. During the search for new histamine H4 receptor antagonists among 1,3,5-triazine derivatives, compound 2 (4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine) was found. Compound 2, weakly active for the H4 receptor but fitted in 3/4 of pharmacophore features of the 5-HT6R ligand, occurred to be a moderate 5-HT6R agent, useful as a lead structure for further modifications. A series of new derivatives (3-19) of the lead 2 was synthesized, evaluated in the radioligand binding assay (RBA) and explored in comprehensive molecular modelling, including both pharmacophore- and structure-based approaches with docking to the homology model of 5-HT6R...
April 13, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28441541/molecular-interaction-of-2-4-diacetylphloroglucinol-dapg-with-human-serum-albumin-hsa-the-spectroscopic-calorimetric-and-computational-investigation
#19
Pragna Lakshmi T, Moumita Mondal, Krishna Ramadas, Sakthivel Natarajan
Drug molecule interaction with human serum albumin (HSA) affects the distribution and elimination of the drug. The compound, 2,4-diacetylphloroglucinol (DAPG) has been known for its antimicrobial, antiviral, antihelminthic and anticancer properties. However, its interaction with HSA is not yet reported. In this study, the interaction between HSA and DAPG was investigated through steady-state fluorescence, time-resolved fluorescence (TRF), circular dichroism (CD), Fourier transform infrared (FT-IR) spectroscopy, isothermal titration calorimetry (ITC), molecular docking and molecular dynamics simulation (MDS)...
April 18, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28441473/assembly-of-macrocycle-dye-derivatives-into-particles-for-fluorescence-and-photoacoustic-applications
#20
Hoang Dung Lu, Tristan L Lim, Shoshana Javitt, Andrew Heinmiller, Robert K Prud'homme
Optical imaging is a rapidly progressing medical technique that can benefit from the development of new and improved optical imaging agents suitable for use in vivo. However, the molecular rules detailing what optical agents can be processed and encapsulated into in vivo presentable forms are not known. We here present the screening of series of highly hydrophobic porphyrin, phthalocyanine, and naphthalocyanine dye macrocycles through a self-assembling Flash NanoPrecipitation process to form a series of water dispersible dye nanoparticles (NPs)...
April 25, 2017: ACS Combinatorial Science
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