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https://www.readbyqxmd.com/read/28205401/computer-aided-drug-design-to-explore-cyclodextrin-therapeutics-and-biomedical-applications
#1
Azizeh Abdolmaleki, Fatemeh Ghasemi, Jahan B Ghasemi
Cyclodextrin (CD) is a subset of the macrocyclic structural class, which is an important class of small organic agents that are useful functional excipients. They have wide range application possibilities in different fields of sciences such as material preparation, medicine, analytical chemistry, and separation processes. They are used widely in pharmaceutical formulations and drug delivery for increasing the water solubility of low soluble drugs and drug candidates. Due to the ring structure, they behave differently than smaller molecules and may be capable of hitting new classes of targets...
February 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28194939/in-vivo-fluorescence-imaging-and-the-diagnosis-of-stem-cells-using-quantum-dots-for-regenerative-medicine
#2
Hiroshi Yukawa, Yoshinobu Baba
No abstract text is available yet for this article.
February 10, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28188529/dual-color-multiplex-analysis-of-protein-microarrays-for-precision-medicine
#3
Solomon Yeon, Florian Bell, Michael Shultz, Grace Lawrence, Michael Harpole, Virginia Espina
Generating molecular information in a clinically relevant time frame is the first hurdle to truly integrating precision medicine in health care. Reverse phase protein microarrays are being utilized in clinical trials for quantifying posttranslationally modified signal transduction proteins and cellular signaling pathways, allowing direct comparison of the activation state of proteins from multiple specimens, or individual patient specimens, within the same array. This technology provides diagnostic and therapeutic information critical to precision medicine...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/28183595/carbon-nanotube-as-a-carrier-in-drug-delivery-system-for-carnosine-dipeptide-a-computer-simulation-study
#4
Sepideh Ketabi, Leila Rahmani
Biological application of carbon nanotube in drug delivery is our main concern in this investigation. For this purpose interaction of carnosine and carbon nanotube was studied in both gas phase and separately in aqueous media. Three possible interactions of carnosine dipeptide with (5,5) carbon nanotube in physiological media were considered. At first step each species were modeled using quantum mechanical calculations, in the next step, their properties in aqueous solution were studied by applying Monte Carlo simulations...
April 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28164366/ultralow-field-and-spin-locking-relaxation-dispersion-in-postmortem-pig-brain
#5
Hui Dong, Seong-Min Hwang, Michael Wendland, Lixing You, John Clarke, Ben Inglis
PURPOSE: To investigate tissue-specific differences, a quantitative comparison was made between relaxation dispersion in postmortem pig brain measured at ultralow fields (ULF) and spin locking at 7 tesla (T). The goal was to determine whether ULF-MRI has potential advantages for in vivo human brain imaging. METHODS: Separate specimens of gray matter and white matter were investigated using an ULF-MRI system with superconducting quantum interference device (SQUID) signal detection to measure T1ULF at fields from 58...
February 5, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/28150876/edited-1-h-magnetic-resonance-spectroscopy-in-vivo-methods-and-metabolites
#6
REVIEW
Ashley D Harris, Muhammad G Saleh, Richard A E Edden
The Proton magnetic resonance ((1) H-MRS) spectrum contains information about the concentration of tissue metabolites within a predefined region of interest (a voxel). The conventional spectrum in some cases obscures information about less abundant metabolites due to limited separation and complex splitting of the metabolite peaks. One method to detect these metabolites is to reduce the complexity of the spectrum using editing. This review provides an overview of the one-dimensional editing methods available to interrogate these obscured metabolite peaks...
February 2, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/28119762/synthesis-spectroscopic-dielectric-molecular-docking-and-dft-studies-of-3e-3-4-methylbenzylidene-3-4-dihydro-2h-chromen-2-one-an-anticancer-agent
#7
T Beena, L Sudha, A Nataraj, V Balachandran, D Kannan, M N Ponnuswamy
BACKGROUND: Coumarin (2H-chromen-2-one) and its derivatives have a wide range of biological and pharmaceutical activities. They possess antitumor, anti-HIV, anticoagulant, antimicrobial, antioxidant, and anti-inflammatory activities. Synthesis and isolation of coumarins from different species have attracted the attention of medicinal chemists. Herein, we report the synthesis, molecular structure, dielectric, anticancer activity and docking studies with the potential target protein tankyrase...
2017: Chemistry Central Journal
https://www.readbyqxmd.com/read/28110684/hydrothermal-synthesis-of-polyethylenimine-protected-high-luminescent-pt-nanoclusters-and-their-application-to-the-detection-of-nitroimidazoles
#8
Na Xu, Hong-Wei Li, Yuqing Wu
A novel one-step hydrothermal synthesis of highly fluorescent platinum nanoclusters protected by polyethylenimine (Pt-NCs@PEI) is described. The products are characterized well by UV-vis absorption, fluorescence spectra, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) imaging. The Pt-NCs@PEI possess high quantum yield at 28%, which is the relatively high one among the reported Pt-NCs; especially, the synthesis is in one-step and the reaction time is much shorter (<1 h) than the related methods...
March 15, 2017: Analytica Chimica Acta
https://www.readbyqxmd.com/read/28107978/fret-based-nanobiosensor-for-detection-of-scopolamine-in-hairy-root-extraction-of-atropa-belladonna
#9
Fereshte Bagheri, Khosro Piri, Afshine Mohsenifar, Smaiil Ghaderi
A simple, sensitive, selective, and rapid optical nanobiosensor based on FRET was designed to detect tropane alkaloids as anti-cholinergic agents in natural and transgenic hairy roots extracts of Atropa belladonna. To achieve that, conjugation of tioglycolyic acid capped cadmium telluride quantum Dots, M2 muscarinic receptor (Cd/Te QDs-M2R) and conjugation of scopolamine-rhodamine123 (Sc-Rho123) were performed. More specifically, proportional amounts of M2 muscarinic receptor and quantum dots (QDs) were conjugated while scopolamine (as a tropane alkaloid) and rhodamine123 were also combined and these moieties functioned as donor and acceptor pairs, respectively...
March 1, 2017: Talanta
https://www.readbyqxmd.com/read/28048935/engineered-diblock-polypeptides-improve-dna-and-gold-solubility-during-molecular-assembly
#10
Nicole A Estrich, Armando Hernandez-Garcia, Renko de Vries, Thomas H LaBean
Programmed molecular recognition is being developed for the bionanofabrication of mixed organic/inorganic supramolecular assemblies for applications in electronics, photonics, and medicine. For example, DNA-based nanotechnology seeks to exploit the easily programmed complementary base-pairing of DNA to direct assembly of complex, designed nanostructures. Optimal solution conditions for bionanofabrication, mimicking those of biological systems, may involve high concentrations of biomacromolecules (proteins, nucleic acids, etc...
January 6, 2017: ACS Nano
https://www.readbyqxmd.com/read/28004087/design-synthesis-in-vitro-antiproliferative-activity-binding-modeling-of-1-2-4-triazoles-as-new-anti-breast-cancer-agents
#11
Murat Genc, Zuhal Karagoz Genc, Suat Tekin, Suleyman Sandal, Muhammad Sirajuddin, Ben Hadda Taibi, Memet Sekerci
This article demonstrates the synthesis of 1,2,4-triazole derivatives and their applications in medicine particularly as anti-breast cancer agents which is a major issue of the present. The synthesized compounds were characterized by elemental analysis, FT-IR and NMR. DFT was used to study the quantum chemical calculations of geometries and vibrational wave numbers of 3-hydroxynaphthyl and p-tolyl substituted 1,2,4-triazoles in the ground state. The scaled harmonic vibrational frequencies obtained from the DFT method were compared with those of the FT-IR spectra and found good agreement...
December 2016: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/27988019/nano-carbohydrates-synthesis-and-application-in-genetics-biotechnology-and-medicine
#12
REVIEW
Ali Jebali, Elham Khajeh Nayeri, Sima Roohana, Shiva Aghaei, Maede Ghaffari, Karim Daliri, Garcia Fuente
Combining nanoparticles with carbohydrate has triggered an exponential growth of research activities for the design of novel functional bionanomaterials, nano-carbohydrates. Recent advances in versatile synthesis of glycosylated nanoparticles have paved the way towards diverse biomedical applications. The accessibility of a wide variety of these structured nanosystems, in terms of shape, size, and organization around stable nanoparticles, has readily contributed to their development and application in nanomedicine...
February 2017: Advances in Colloid and Interface Science
https://www.readbyqxmd.com/read/27983838/long-chain-saturated-and-unsaturated-carboxylic-acids-filling-a-large-gap-of-knowledge-in-their-enthalpies-of-formation
#13
Donald W Rogers, Andreas A Zavitsas
Despite their abundance in nature and their importance in biology, medicine, nutrition, and in industry, gas phase enthalpies of formation of many long chain saturated and unsaturated fatty acids and of dicarboxylic acids are either unavailable or have been estimated with large uncertainties. Available experimental values for stearic acid show a spread of 68 kJ mol(-1). This work fills the knowledge gap by obtaining reliable values by quantum theoretical calculations using G4 model chemistry. Compounds with up to 20 carbon atoms are treated...
December 28, 2016: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/27943553/cell-surface-nano-modulation-for-non-invasive-in%C3%A2-vivo-near-ir-stem-cell-monitoring
#14
Woo Jung Shin, Seung Won Shin, Ji Soo Yuk, Lunjakorn Amornkitbamrung, Min Su Jang, In Hyun Song, Soon Won Choi, Insung Kang, Jin Young Lee, Hojae Bae, Kyung-Sun Kang, Soong Ho Um
A stem cell tracking system is in high demand for the determination of cell destinations and for the validation of cell therapeutic efficacy in regenerative transplantation. To date, near-infrared (NIR) imaging technology has received considerable attention in cell behavior monitoring, owing to its patient compatibility, easy accessibility and cost effectiveness. Conventionally, in vivo cell tracking has been visualized by direct in-cell staining with NIR, where it may be achieved by complicated genetic engineering...
December 10, 2016: ChemMedChem
https://www.readbyqxmd.com/read/27910789/methoxyflavones-from-new-lingzhi-medicinal-mushroom-ganoderma-lingzhi-agaricomycetes
#15
Kuniyoshi Shimizu, Yhiya M Amen, Satoru Kaifuchi
Ganoderma lingzhi is one of the most famous medicinal fungi in the world. It has been used in folk medicine, especially in East Asian countries. It is also a white-rot fungus with strong wood degradation ability, especially against lignin. Different classes of bioactive natural products have been reported in Ganoderma, including triterpenes, polysaccharides, sterols, and peptides. The triterpenes and polysaccharides are the primary bioactive compounds of Ganoderma. We report for the first time the presence of 3 methoxyflavones as minor constituents in G...
2016: International Journal of Medicinal Mushrooms
https://www.readbyqxmd.com/read/27875310/extending-halogen-based-medicinal-chemistry-to-proteins-iodo-insulin-as-a-case-study
#16
Krystel El Hage, Vijay Pandyarajan, Nelson B Phillips, Brian J Smith, John G Menting, Jonathan Whittaker, Michael C Lawrence, Markus Meuwly, Michael A Weiss
Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (Tyr(B26)) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated the use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomistic simulations of 3-[iodo-Tyr(B26)]insulin to predict its structural features, and (ii) tested these predictions by X-ray crystallography...
December 30, 2016: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/27853987/evaluation-of-tspo-pet-ligands-18-f-vuiis1009a-and-18-f-vuiis1009b-tracers-for-cancer-imaging
#17
Dewei Tang, Jun Li, Jason R Buck, Mohamed Noor Tantawy, Yan Xia, Joel M Harp, Michael L Nickels, Jens Meiler, H Charles Manning
PURPOSE: Positron emission tomography (PET) ligands targeting translocator protein (TSPO) are potential imaging diagnostics of cancer. In this study, we report two novel, high-affinity TSPO PET ligands that are 5,7 regioisomers, [(18)F]VUIIS1009A ([(18)F]3A) and [(18)F]VUIIS1009B ([(18)F]3B), and their initial in vitro and in vivo evaluation in healthy mice and glioma-bearing rats. PROCEDURES: VUIIS1009A/B was synthesized and confirmed by X-ray crystallography. Interactions between TSPO binding pocket and novel ligands were evaluated and compared with contemporary TSPO ligands using 2D (1)H-(15)N heteronuclear single quantum coherence (HSQC) spectroscopy...
November 16, 2016: Molecular Imaging and Biology: MIB: the Official Publication of the Academy of Molecular Imaging
https://www.readbyqxmd.com/read/27812591/photochemical-formation-of-quinone-methides-from-peptides-containing-modified-tyrosine
#18
Antonija Husak, Benjamin P Noichl, Tatjana Šumanovac Ramljak, Margareta Sohora, Đani Škalamera, Nediljko Budiša, Nikola Basarić
We have demonstrated that quinone methide (QM) precursors can be introduced in the peptide structure and used as photoswitchable units for peptide modifications. QM precursor 1 was prepared from protected tyrosine in the Mannich reaction, and further used as a building block in peptide synthesis. Moreover, peptides containing tyrosine can be transformed into a photoactivable QM precursor by the Mannich reaction which can afford monosubstituted derivatives 2 or bis-substituted derivatives 3. Photochemical reactivity of modified tyrosine 1 and dipeptides 2 and 3 was studied by preparative irradiation in CH3OH where photodeamination and photomethanolysis occur...
November 4, 2016: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/27811467/genus-epidemicus-are-notions-of-entanglement-relevant-to-the-homeopathic-understanding-of-epidemic-disease
#19
Lionel R Milgrom
BACKGROUND: Patient-practitioner-remedy (PPR) entanglement postulates non-local triadic interaction between patient (Px), practitioner (Pr) and potentised medicine (Rx), resulting in the patient's journey to cure; the in-depth homeopathic interview is considered a major contributing factor in this process. Also, by modelling entelechy, a quantised gyroscopic analogue of the Vital Force (Vf) has been developed. OBJECTIVE: To discover whether entanglement notions explain the mode of action of homeopathy during the treatment of epidemic diseases, when the individualising in-depth homeopathic interview is neither possible nor necessary...
2016: Forschende Komplementärmedizin, Research in Complementary Medicine
https://www.readbyqxmd.com/read/27787685/facile-synthesis-and-photophysical-characterization-of-new-quinoline-dyes
#20
Giovanny Carvalho Dos Santos, Aloisio de Andrade Bartolomeu, Valdecir Farias Ximenes, Luiz Carlos da Silva-Filho
This paper describes the synthesis of new quinoline derivatives, molecules that has been long interest in the organic and medicinal chemistry. Through the Multicomponent Reaction (MCR), an important tool in modern synthetic methodology, that generate products with good structural complexity, in addition to economy of atoms and selectivity, we provide easy access to the preparation of quinoline derivatives. The reactions were promoted by niobium pentachloride, as a Lewis acid. Subsequently, the synthesis of new aminoquinoline derivatives with good yields was performed using Pd/C and hydrazine...
October 27, 2016: Journal of Fluorescence
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