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https://www.readbyqxmd.com/read/28644553/structural-insights-into-the-inclusion-complexes-between-clomiphene-citrate-and-%C3%AE-cyclodextrin-the-mechanism-of-preferential-isomeric-selection
#1
Arti Maheshwari, Harish Saraswat, Santosh Kumar Upadhyay
A major challenge in pharmaceuticals for clinical applications is to alter the solubility, stability, and toxicity of drug molecules in living systems. Cyclodextrins (CDs) have the ability to form host-guest inclusion complexes with pharmaceuticals for further development of new drug formulations. The inclusion complex of clomiphene citrate (CL), a poorly water-soluble drug, with native β-cyclodextrin (β-CD) was characterized by a one and two-dimensional nuclear magnetic resonance (NMR) spectroscopic approach and also by molecular docking techniques...
June 23, 2017: Chirality
https://www.readbyqxmd.com/read/28625724/the-binary-system-of-ibuprofen-nicotinamide-under-nanoscale-confinement-from-cocrystal-to-coamorphous-state
#2
Yanping Bi, Deli Xiao, Shuai Ren, Shuyan Bi, Jianzhu Wang, Fei Li
Coamorphous systems have gained success in stabilizing amorphous drugs and improving their solubility and dissolution. Here we proposed to confine a binary mixture of drug and coformer (CF) within nanopores to obtain a nano-confined coamorphous (NCA) system. For proving feasibility of this proposal, a poorly water-soluble drug (ibuprofen, IBP) and a frequently used pharmaceutical CF (nicotinamide, NIC) were loaded into nanopores of mesoporous silica microspheres (MSMs). The solid state of NCA system was characterized by differential scanning calorimetry, X-ray powder diffraction, infrared spectrum and solid state nuclear magnetic resonance...
June 15, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28624088/nootkatone-encapsulation-by-cyclodextrins-effect-on-water-solubility-and-photostability
#3
Miriana Kfoury, David Landy, Steven Ruellan, Lizette Auezova, Hélène Greige-Gerges, Sophie Fourmentin
Nootkatone (NO) is a sesquiterpenoid volatile flavor, used in foods, cosmetics and pharmaceuticals, possessing also insect repellent activity. Its application is limited because of its low aqueous solubility and stability; this could be resolved by encapsulation in cyclodextrins (CDs). This study evaluated the encapsulation of NO by CDs using phase solubility studies, Isothermal Titration Calorimetry, Nuclear Magnetic Resonance spectroscopy and molecular modeling. Solid CD/NO inclusion complex was prepared and characterized for encapsulation efficiency and loading capacity using UV-Visible...
December 1, 2017: Food Chemistry
https://www.readbyqxmd.com/read/28600832/investigation-of-drug-products-received-for-analysis-in-the-swedish-strida-project-on-new-psychoactive-substances
#4
Matilda Bäckberg, Karl-Henrik Jönsson, Anders Helander, Olof Beck
The web-based open sale of unregulated new psychoactive substances (NPS) has shown a steady increase over the past years. Analysis of drug products sold as NPS is useful to confirm the true chemical contents, for comparison with the substances detected in corresponding body fluids, but also to study drug trends. This work describes the examination of 251 drug products that were randomly submitted for analysis in 173 cases of suspected NPS-related intoxications in the Swedish STRIDA project in 2010-2015. Of the products, 39% were powders/crystals, 32% tablets/capsules, 16% herbal materials, 8% liquids, 1% blotters, and 4% others...
June 9, 2017: Drug Testing and Analysis
https://www.readbyqxmd.com/read/28584912/new-cryptotanshinone-derivatives-with-anti-influenza-a-virus-activities-obtained-via-biotransformation-by-mucor-rouxii
#5
Wenni He, Yao Li, Yuejie Qin, Xiaomei Tong, Zhijun Song, Yu Zhao, Ran Wei, Li Li, Huanqin Dai, Wenzhao Wang, Houwei Luo, Xin Ye, Lixin Zhang, Xueting Liu
This paper provides an efficient platform to diversify the structure and pharmaceutical potentials of known natural products. Seven metabolites were obtained via the biotransformation of cryptotanshinone by the fungus Mucor rouxii AS 3.3447, and assigned as 13R-14R-hydroxy-anhydride of 16R-cryptotanshinone (1), 1S-hydroxy-anhydride of 16R-cryptotanshinone (2), 1R-hydroxy-anhydride of 16R-cryptotanshinone (3), 3S-hydroxy-epicryptoacetalide (4), 3S-hydroxy-cryptoacetalide (5), epicryptoacetalide (6), and cryptoacetalide (7)...
June 5, 2017: Applied Microbiology and Biotechnology
https://www.readbyqxmd.com/read/28583765/current-role-and-future-perspectives-of-multivariate-chemometric-methods-in-nmr-spectroscopic-analysis-of-pharmaceutical-products
#6
REVIEW
Yulia B Monakhova, Ulrike Holzgrabe, Bernd W K Diehl
Nuclear magnetic resonance (NMR) is a fast and accurate analytical method. Associated with chemometrics, it gradually becomes more important tool for the pharmaceutical industry. In this review studies dealing with the applications of multivariate analysis to NMR spectroscopic profiles were grouped and discussed according to the analytical problem solved. The following topics were covered: authenticity of medicines according to variety, seasonal and geographical differences of herbal plants; quantitative prediction of pharmacologically relevant parameters; production and batches approval; investigation of drug structure modifications; site-specific natural isotope fractionation (SNIF-NMR) fingerprinting for origin and manufacturer tracking and others...
May 27, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28578058/toralactone-glycoside-in-cassia-obtusifolia-mediates-hepatoprotection-via-an-nrf2-dependent-anti-oxidative-mechanism
#7
Yongtaek Seo, Jae-Sook Song, Young-Mi Kim, Young Pyo Jang
Cassia obtusifolia L. (Leguminosae) seeds are a well-known medicinal food in East Asia and are used to clear liver heat, sharpen vision, lubricate the intestines, and promote bowel movement. The aims of the present study were to identify the hepatoprotective components of C. obtusifolia seeds by bioactivity-guided isolation and to elucidate their mechanisms of action. Ten phenolic glycosides were isolated from the most active ethyl acetate fraction, and their chemical structures were elucidated by spectroscopic analyses...
July 2017: Food Research International
https://www.readbyqxmd.com/read/28544938/sex-steroids-and-metabolic-responses-in-mussels-mytilus-galloprovincialis-exposed-to-drospirenone
#8
Tiziana Cappello, Denise Fernandes, Maria Maisano, Andrea Casano, Marta Bonastre, Maria João Bebianno, Angela Mauceri, Salvatore Fasulo, Cinta Porte
Drospirenone (DRO) is a synthetic progestin derived from 17α-spironolactone with a pharmacological mechanism of action similar to progesterone. Despite its wide use as pharmaceutical and consequent continuous release into the aquatic environment, DRO effects have been poorly investigated on aquatic biota. In order to unravel the toxicity mechanisms of DRO, mussels Mytilus galloprovincialis were exposed for 7 days to different concentrations of DRO, namely 20ng/L (Low; L), 200ng/L (Medium; M), 2000ng/L (High; H) and 10μg/L (Super High; SH) nominal doses...
May 22, 2017: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/28537194/an-investigation-into-the-potential-role-of-brain-angiogenesis-inhibitor-protein-3-bai3-in-the-tumorigenesis-of-small-cell-carcinoma-a-review-of-the-surrounding-literature
#9
Michael Thomas, David Snead, Daniel Mitchell
Brain angiogenesis inhibitor protein 3 (BAI3) is from the adhesion group of seven-transmembrane spanning G protein-coupled receptors (GPCRs) and has been identified via gene expression profiling as being upregulated in small-cell lung cancer (SCLC) tumors. It has subsequently been validated as a sensitive and specific immunohistochemical marker for SCLC, helping to differentiate these tumors from morphologically similar large-cell neuroendocrine (LCNEC) malignancies. It is, however, still unclear as to the role BAI3 proteins might play in SCLC and indeed how they might contribute to tumorigenesis...
May 24, 2017: Journal of Receptor and Signal Transduction Research
https://www.readbyqxmd.com/read/28528487/role-of-medicines-of-unknown-identity-in-adverse-drug-reaction-related-hospitalizations-in-developing-countries-evidence-from-a-cross-sectional-study-in-a-teaching-hospital-in-the-lao-people-s-democratic-republic
#10
Céline Caillet, Chanvilay Sichanh, Gaëtan Assemat, Myriam Malet-Martino, Agnès Sommet, Haleh Bagheri, Noudy Sengxeu, Niphonh Mongkhonmath, Mayfong Mayxay, Lamphone Syhakhang, Maryse Lapeyre-Mestre, Paul N Newton, Anne Roussin
INTRODUCTION: The health dangers of medicines of unknown identity (MUIs) [loose pharmaceutical units repackaged in individual bags without labelling of their identity] have been suspected in L/MICs. Using visual and analytical tools to identify MUIs, we investigated the frequency of, and factors associated with, adverse drug reaction (ADR)-related hospitalizations in a central hospital in Vientiane Capital, Lao People's Democratic Republic (PDR). METHODS: All unplanned admissions, except for acute trauma and intentional overdose, were prospectively recorded during a 7-week period in 2013, leading to include 453 adults hospitalized for ≥24 h...
May 20, 2017: Drug Safety: An International Journal of Medical Toxicology and Drug Experience
https://www.readbyqxmd.com/read/28527464/-14-n-nqr-lineshape-in-nanocrystals-an-ab-initio-investigation-of-urea
#11
Alan Gregorovič
(14)N nuclear quadrupole resonance (NQR) lineshapes mostly contain information of low interest, although in nanocrystals they may display some unexpected behaviour. In this work, we present an ab initio computational study of the (14)N NQR lineshapes in urea nanocrystals as a function of the nanocrystal size and geometry, focusing on the surface induced broadening of the lineshapes. The lineshapes were obtained through a calculation of the electric field gradient for each nitrogen site in the nanocrystal separately, taking into account the individual crystal field by embedding the molecule of interest in a suitable lattice of point multipoles representing other urea molecules in the nanocrystal...
May 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28487608/role-of-%C3%AE-133p53-isoform-in-nf-%C3%AE%C2%BAb-inhibitor-pdtc-mediated-growth-inhibition-of-mkn45-gastric-cancer-cells
#12
Hong-Mei Zhang, Xiao-Guang Sang, Yan-Ze Wang, Can Cui, Li Zhang, Wan-Sheng Ji
AIM: To investigate the role of Δ133p53 isoform in nuclear factor-κB (NF-κB) inhibitor pyrrolidine dithiocarbamate (PDTC)-mediated growth inhibition of MKN45 gastric cancer cells. METHODS: The growth rate of MKN45 cells after treatment with different concentrations of only PDTC or PTDC in combination with cisplatin was detected by the CCK-8 assay. mRNA expression levels of Δ133p53, p53β, and the NF-κB p65 subunit and p65 protein levels were detected by reverse transcription-polymerase chain reaction (RT-PCR) and immunofluorescence, respectively...
April 21, 2017: World Journal of Gastroenterology: WJG
https://www.readbyqxmd.com/read/28483880/the-c-domain-of-oleuropein-%C3%AE-glucosidase-assists-in-protein-folding-and-sequesters-the-enzyme-in-nucleus
#13
Konstantinos Koudounas, Margarita Thomopoulou, Christos Michaelidis, Efstathia Zevgiti, Georgios Papakostas, Paraskevi Tserou, Gerasimos Daras, Polydefkis Hatzopoulos
Oleuropein, a terpene-derived glycosylated secoiridoid biosynthesized exclusively by members of the Oleaceae family, is involved in a two-component defense system comprising a β-glucosidase that activates oleuropein into a toxic glutaraldehyde-like structure. Oleuropein and its deglycosylated derivatives have high pharmaceutical interest. In the present study we determined that the in planta heterologous expressed OeGLU, an oleuropein-specific β-glucosidase from olive (Olea europaea) had enzymatic kinetics similar to the olive native enzyme...
May 8, 2017: Plant Physiology
https://www.readbyqxmd.com/read/28458018/anti-inflammatory-effects-of-novel-polygonum-multiflorum-compound-via-inhibiting-nf-%C3%AE%C2%BAb-mapk-and-upregulating-the-nrf2-pathways-in-lps-stimulated-microglia
#14
Sun Young Park, Mei Ling Jin, Nam Jun Kang, Geuntae Park, Young-Whan Choi
The incorporation of Polygonum multiflorum into the diet can result in anti-aging effects owing to its wide range of biological and pharmaceutical properties. We investigated the anti-neuroinflammatory properties of CRPE56IGIH isolated from P. multiflorum by focusing on its role in the induction of phase II antioxidant enzymes and the modulation of upstream signaling pathways. In microglia, CRPE56IGIH significantly inhibited lipopolysaccharide (LPS)-stimulated nitric oxide and prostaglandin E2 production with nonspecific cytotoxicity...
April 27, 2017: Neuroscience Letters
https://www.readbyqxmd.com/read/28455777/insights-into-nano-and-micron-scale-phase-separation-in-amorphous-solid-dispersions-using-fluorescence-based-techniques-in-combination-with-solid-state-nuclear-magnetic-resonance-spectroscopy
#15
Hitesh S Purohit, James D Ormes, Sugandha Saboo, Yongchao Su, Matthew S Lamm, Amanda K P Mann, Lynne S Taylor
PURPOSE: Miscibility between the drug and the polymer in an amorphous solid dispersion (ASD) is considered to be one of the most important factors impacting the solid state stability and dissolution performance of the active pharmaceutical ingredient (API). The research described herein utilizes emerging fluorescence-based methodologies to probe (im)miscibility of itraconazole (ITZ)-hydroxypropyl methylcellulose (HPMC) ASDs. METHODS: The ASDs were prepared by solvent evaporation with varying evaporation rates and were characterized by steady-state fluorescence spectroscopy, confocal imaging, differential scanning calorimetry (DSC), and solid state nuclear magnetic resonance (ssNMR) spectroscopy...
April 28, 2017: Pharmaceutical Research
https://www.readbyqxmd.com/read/28454189/assessment-of-the-authenticity-of-herbal-dietary-supplements-comparison-of-chemical-and-dna-barcoding-methods
#16
Rahul S Pawar, Sara M Handy, Raymond Cheng, Nicole Shyong, Erich Grundel
About 7 % of the U. S. population reports using botanical dietary supplements. Increased use of such supplements has led to discussions related to their authenticity and quality. Reports of adulteration with substandard materials or pharmaceuticals are of concern because such substitutions, whether inadvertent or deliberate, may reduce the efficacy of specific botanicals or lead to adverse events. Methods for verifying the identity of botanicals include macroscopic and microscopic examinations, chemical analysis, and DNA-based methods including DNA barcoding...
April 28, 2017: Planta Medica
https://www.readbyqxmd.com/read/28451739/understanding-renal-nuclear-protein-accumulation-an-in-vitro-approach-to-explain-an-in-vivo-phenomenon
#17
Lisanne Luks, Marcia Y Maier, Silvia Sacchi, Loredano Pollegioni, Daniel R Dietrich
Proper subcellular trafficking is essential to prevent protein mislocalization and aggregation. Transport of the peroxisomal enzyme D-amino acid oxidase (DAAO) appears dysregulated by specific pharmaceuticals, e.g., the anti-overactive bladder drug propiverine or a norepinephrine/serotonin reuptake inhibitor (NSRI), resulting in massive cytosolic and nuclear accumulations in rat kidney. To assess the underlying molecular mechanism of the latter, we aimed to characterize the nature of peroxisomal and cyto-nuclear shuttling of human and rat DAAO overexpressed in three cell lines using confocal microscopy...
April 27, 2017: Archives of Toxicology
https://www.readbyqxmd.com/read/28447451/improvement-of-a-p450-based-recombinant-escherichia-coli-whole-cell-system-for-the-production-of-oxygenated-sesquiterpene-derivatives
#18
Thuy T B Ly, Alexander Schifrin, Bach Duc Nguyen, Rita Bernhardt
Sesquiterpenes are common constituents of essential oil in plants. Their oxygenated derivatives often possess desirable flavor, fragrance, and pharmaceutical properties. Recently, the CYP264B1-based recombinant Escherichia coli whole-cell system has been constructed for the oxidation of sesquiterpenes. However, limiting factors of this system related to the high volatility of substrates and the suitability of the P450 redox partner need to be addressed. In this work, the improvement of the system was implemented with (+)-α-longipinene as a model substrate...
May 17, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28445526/biosynthesis-of-the-oxygenated-diterpene-nezukol-in-the-medicinal-plant-isodon-rubescens-is-catalyzed-by-a-pair-of-diterpene-synthases
#19
Kyle A Pelot, David M Hagelthorn, J Bennett Addison, Philipp Zerbe
Plants produce an immense diversity of natural products (i.e. secondary or specialized metabolites) that offer a rich source of known and potentially new pharmaceuticals and other desirable bioproducts. The Traditional Chinese Medicinal plant Isodon rubescens (Lamiaceae) contains an array of bioactive labdane-related diterpenoid natural products. Of these, the ent-kauranoid oridonin is the most prominent specialized metabolite that has been extensively studied for its potent antimicrobial and anticancer efficacy...
2017: PloS One
https://www.readbyqxmd.com/read/28445076/image-based-phenotypic-screening-with-human-primary-t-cells-using-one-dimensional-imaging-cytometry-with-self-tuning-statistical-gating-algorithms
#20
Steve S Wang, Daniel J Ehrlich
The parallel microfluidic cytometer (PMC) is an imaging flow cytometer that operates on statistical analysis of low-pixel-count, one-dimensional (1D) line scans. It is highly efficient in data collection and operates on suspension cells. In this article, we present a supervised automated pipeline for the PMC that minimizes operator intervention by incorporating multivariate logistic regression for data scoring. We test the self-tuning statistical algorithms in a human primary T-cell activation assay in flow using nuclear factor of activated T cells (NFAT) translocation as a readout and readily achieve an average Z' of 0...
April 1, 2017: SLAS Discovery
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