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https://www.readbyqxmd.com/read/29161781/in-silico-docking-studies-of-lupeol-with-mapk-pathway-proteins-raf-1-mek-erk
#1
Mital H Bhatt, Chirag K Prajapati, M N Reddy
Lupeol, A triterpenoid found in variety of plants is reported to have beneficial medicinal effects on several ailments. Lupeol is also found to show inhibitory effect on proliferation of breast cancer cells. Metastasis is considered to be a major cause for worldwide deaths related to cancer. Ras related MAPK Signaling Pathway is one of the crucial pathways leading to metastasis. Lupeols binding possibility with Ras is already reported. In present study, Interaction between with downstream proteins of Ras- MAPK pathway, Raf ,MEK ,ERK1/2 and their corresponding domains are studied using STRING Database and their structures are retrieved in PDB Format...
November 2017: Journal of Experimental Therapeutics & Oncology
https://www.readbyqxmd.com/read/29161777/structure-based-design-and-evaluation-of-synthetic-porphyrin-derivatives-as-g-quadruplex-stabilizing-anticancer-agents
#2
R N Bhadane, D B Meshram, R M Gilhotra
G-quadruplex structures formed in telomeres and proto-oncogene represent a potentially useful target for anticancer drugs. Stabilization of this arrangement may inhibit the further action of different enzymes involved in cancer cell immortalization. In present work structure based drug design and synthesis was carried out on series of meso-substituted porphyrin analogues. The interaction of porphyrin derivatives with G-quadruplex DNA has been explored by virtual screening procedure. Some of the potential binding agents were then synthesized and evaluated in-vitro by MTT and PCR stop assay...
November 2017: Journal of Experimental Therapeutics & Oncology
https://www.readbyqxmd.com/read/29161611/the-application-of-ion-mobility-mass-spectrometry-to-metabolomics
#3
REVIEW
Xing Zhang, Kevin Quinn, Charmion Cruickshank-Quinn, Richard Reisdorph, Nichole Reisdorph
Mass spectrometry-based metabolomics is being increasingly utilized in various research fields including investigating human diseases, nutrition, industrial applications, and plant/natural products studies. Although new analytical approaches have enhanced the performance of metabolomic analyses, significant challenges associated with throughput, metabolome coverage, and compound identification still exist. Ion mobility mass spectrometry offers great potential for improving throughput and depth of coverage in metabolomics experiments...
November 18, 2017: Current Opinion in Chemical Biology
https://www.readbyqxmd.com/read/29161603/-37-cl-compound-specific-isotope-analysis-and-assessment-of-functional-genes-for-monitoring-monochlorobenzene-mcb-biodegradation-under-aerobic-conditions
#4
Massimo Marchesi, Luca Alberti, Orfan Shouakar-Stash, Ilaria Pietrini, Francesca de Ferra, Giovanna Carpani, Ramon Aravena, Andrea Franzetti, Tatiana Stella
A laboratory approach was adopted in this study to explore the potential of (37)Cl-CSIA in combination with (13)C-CSIA and Biological Molecular Tools (BMTs) to estimate the occurrence of monochloroenzene (MCB) aerobic biodegradation. A new analytical method for (37)Cl-CSIA of MCB was developed in this study. This methodology using a GC-IRMS allowed to determine δ(37)Cl values within an internal error of ±0.3‰. Samples from a heavily MCB contaminated site were collected and MCB aerobic biodegradation microcosms with indigenous cultures in natural and enhanced conditions were set up...
November 18, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29161574/fast-spectroscopic-monitoring-of-inhibitors-in-the-2g-ethanol-process
#5
Ariane S S Pinto, Marcelo P A Ribeiro, Cristiane S Farinas
One of the main challenges of second generation (2G) ethanol production is the high quantities of phenolic compounds and furan derivatives generated in the pretreatment of the lignocellulosic biomass, which inhibit the enzymatic hydrolysis and fermentation steps. Fast monitoring of these inhibitory compounds could provide better control of the pretreatment, hydrolysis, and fermentation processes by enabling the implementation of strategic process control actions. We investigated the feasibility of monitoring these inhibitory compounds by ultraviolet-visible (UV-Vis) spectroscopy associated with partial least squares (PLS) regression...
November 14, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/29161514/discovery-of-an-orally-bioavailable-benzofuran-analogue-that-serves-as-a-%C3%AE-amyloid-aggregation-inhibitor-for-the-potential-treatment-of-alzheimer-s-disease
#6
Heejin Ha, Dong Wook Kang, Hyuk-Min Kim, Jin-Mi Kang, Jihyae Ann, Hyae Jung Hyun, Joon Hwan Lee, Sae Hee Kim, Hee Kim, Kwanghyun Choi, Hyun-Seok Hong, Young Ho Kim, Dong-Gyu Jo, Jiyoun Lee, Jeewoo Lee
We developed an orally active and blood-brain barrier-permeable benzofuran analogue (8, MDR-1339) with potent anti-aggregation activity. Compound 8 restored cellular viability from Aβ-induced cytotoxicity but also improved the learning and memory function of AD model mice by reducing the Aβ aggregates in the brains. Given the high bioavailability and brain permeability demonstrated in our pharmacokinetic studies, compound 8 will provide a novel scaffold for an Aβ-aggregation inhibitor that may offer an alternative treatment for AD...
November 21, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29161477/-insecticidal-action-of-synthetic-girgensohnine-analogues-and-essential-oils-on-rhodnius-prolixus-hemiptera-reduviidae
#7
Juliana Cuadros, Aurora L Carreño, Vladimir V Kouznetsov, Jonny E Duque
INTRODUCTION: The alkaloid girgensohnine has been used as a natural model in the synthesis of new alkaloid-like alpha-aminonitriles with insecticidal effect against disease vectors. OBJECTIVE: To evaluate the biocide activity of girgensohnine analogues and essential oils of Cymbopogon flexuosus, Citrus sinensis and Eucalyptus citriodora in stage I and stage V Rhodnius prolixus nymphs. MATERIALS AND METHODS: We used a topical application model in tergites and sternites, as well as exposure to treated surfaces with different exploratory doses of each of the molecules and essential oils to determine the lethal doses (LD50 and LD95)...
March 29, 2017: Biomédica: Revista del Instituto Nacional de Salud
https://www.readbyqxmd.com/read/29161429/crosstalk-between-the-microbiome-and-epigenome-messages-from-bugs
#8
Yufeng Qin, Paul A Wade
Mammals exist in a complicated symbiotic relationship with their gut microbiome, which is postulated to have broad impacts on host health and disease. As omics-based technologies have matured, the potential mechanisms by which the microbiome affects host physiology are being addressed. The gut microbiome, which provides environmental cues, can modify host cell responses to stimuli through alterations in the host epigenome and, ultimately, gene expression. Increasing evidence highlights microbial generation of bioactive compounds that impact the transcriptional machinery in host cells...
November 17, 2017: Journal of Biochemistry
https://www.readbyqxmd.com/read/29161404/mutation-dependent-aggregation-and-toxicity-in-a-drosophila-model-for-ubqln2-associated-als
#9
Sang Hwa Kim, Shannon G Stiles, Joseph M Feichtmeier, Nandini Ramesh, Lihong Zhan, Mark A Scalf, Lloyd M Smith, Udai Bhan Pandey, Randal S Tibbetts
Members of the conserved ubiquilin (UBQLN) family of ubiquitin (Ub) chaperones harbor an antipodal UBL (Ub-like)-UBA (Ub-associated) domain arrangement and participate in proteasome and autophagosome-mediated protein degradation. Mutations in a proline-rich-repeat region (PRR) of UBQLN2 cause amyotrophic lateral sclerosis (ALS)/frontotemporal dementia (FTD); however, neither the normal functions of the PRR nor impacts of ALS-associated mutations within it are well understood. In this study we show that ALS mutations perturb UBQLN2 solubility and folding in a mutation-specific manner...
November 17, 2017: Human Molecular Genetics
https://www.readbyqxmd.com/read/29161329/comparative-metabolomics-profiling-of-engineered-saccharomyces-cerevisiae-lead-to-a-strategy-that-improving-%C3%AE-carotene-production-by-acetate-supplementation
#10
Xiao Bu, Liang Sun, Fei Shang, Guoliang Yan
A comparative metabolomic analysis was conducted on recombinant Saccharomyces cerevisiae strain producing β-carotene and the parent strain cultivated with glucose as carbon source using gas chromatography-mass spectrometry (GC-MS), high performance liquid chromatography-mass spectrometry (HPLC-MS) and ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) based approach. The results showed that most of the central intermediates associated with amino acids, carbohydrates, glycolysis and TCA cycle intermediates (acetic acid, glycerol, citric acid, pyruvic acid and succinic acid), fatty acids, ergosterol and energy metabolites were produced in a lower amount in recombinant strain, as compared to the parent strain...
2017: PloS One
https://www.readbyqxmd.com/read/29161255/neurogenic-mediators-contribute-to-local-edema-induced-by-micrurus-lemniscatus-venom
#11
Luciana Lyra Casais-E-Silva, Catarina Teixeira
BACKGROUND/AIMS: Micrurus is one of the four snake genera of medical importance in Brazil. Coral snakes have a broad geographic distribution from the southern United States to Argentina. Micrurine envenomation is characterized by neurotoxic symptoms leading to dyspnea and death. Moreover, various local manifestations, including edema formation, have been described in patients bitten by different species of Micrurus. Thus, we investigated the ability of Micrurus lemniscatus venom (MLV) to induce local edema...
November 21, 2017: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/29161243/the-combined-activation-of-kca3-1-and-inhibition-of-kv11-1-herg1-currents-contribute-to-overcome-cisplatin-resistance-in-colorectal-cancer-cells
#12
Serena Pillozzi, Massimo D'Amico, Gianluca Bartoli, Luca Gasparoli, Giulia Petroni, Olivia Crociani, Tiziano Marzo, Angela Guerriero, Luigi Messori, Mirko Severi, Roberto Udisti, Heike Wulff, K George Chandy, Andrea Becchetti, Annarosa Arcangeli
BACKGROUND: Platinum-based drugs such as Cisplatin are commonly employed for cancer treatment. Despite an initial therapeutic response, Cisplatin treatment often results in the development of chemoresistance. To identify novel approaches to overcome Cisplatin resistance, we tested Cisplatin in combination with K(+) channel modulators on colorectal cancer (CRC) cells. METHODS: The functional expression of Ca(2+)-activated (KCa3.1, also known as KCNN4) and voltage-dependent (Kv11...
November 21, 2017: British Journal of Cancer
https://www.readbyqxmd.com/read/29161234/synthesis-of-methyl-4-dihydrotrisporate-b-and-methyl-trisporate-b-morphogenetic-factors-of-zygomycetes-fungi
#13
Yoko Nakamura, Christian Paetz, Wilhelm Boland
(9Z)-Methyl 4-dihydrotrisporate B and (9Z)-methyl trisporate B, pheromones of Zygomycetes fungi, have been synthesized using Stille cross-coupling from previously described cyclohexenone precursors. Conducting the coupling without protection groups allowed for a short and stereospecific synthesis route of the late trisporoids. Stability studies for both the compounds revealed (9Z)-methyl trisporate B to be very unstable against UV irradiation.
November 21, 2017: Zeitschrift Für Naturforschung. C, A Journal of Biosciences
https://www.readbyqxmd.com/read/29161206/a-hypersensitivity-like-response-to-meloidogyne-graminicola-in-rice-oryza-sativa-l
#14
Ngan Thi Phan, Dirk De Waele, Mathias Lorieux, Lizhong Xiong, Stephane Bellafiore
Meloidogyne graminicola (M. graminicola) is a major plant-parasitic nematode affecting rice cultivation in Asia. Resistance to this nematode was found in the African rice genotypes Oryza glaberrima and O. longistaminata, however, due to interspecific hybrid sterility, the introgression of resistance genes in the widely consumed O. sativa varieties remains challenging. Recently, resistance was found in O. sativa and here we report for the first time the histological and genetic characterization of the resistance to M...
November 21, 2017: Phytopathology
https://www.readbyqxmd.com/read/29161050/fecl3-mediated-domino-reaction-of-benzoxazinones-with-aroylmethylidene-malonates-synthesis-to-functionalized-pyrrolobenzoxazines
#15
Shweta Bisht, Rama Krishna Peddinti
An efficient domino approach for the synthesis of pyrrolobenzoxazine derivatives is described. The FeCl3-promoted domino reaction between aroylmethylidene malonates and benzoxazinones has been successfully established to afford the title compounds in good to excellent yield under mild reaction conditions. The domino protocol provides a concise and straightforward access to highly substituted pyrrolobenzoxazines with high efficiency and excellent functional group tolerance.
November 21, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29161036/visible-light-activated-asymmetric-%C3%AE-c-h-functionalization-of-acceptor-substituted-ketones-with-1-2-dicarbonyl-compounds
#16
Jiajia Ma, Anthony R Rosales, Xiaoqiang Huang, Klaus Harms, Radostan Riedel, Olaf Wiest, Eric Meggers
We report a visible-light-activated asymmetric β-C(sp(3))-H functionalization of 2-acyl imidazoles and 2-acylpyridines with 1,2-dicarbonyl compounds (typically α-ketoesters) catalyzed by a tailored stereogenic-at-rhodium Lewis acid catalyst. The C-C bond formation products are obtained in high yields (up to 99%) and with excellent stereoselectivities (up to >20:1 dr and up to >99% ee). Experimental and computational studies support a mechanism in which a photoactivated Rh-enolate transfers a single electron to the 1,2-dicarbonyl compound followed by proton transfer and a subsequent stereocontrolled radical-radical recombination...
November 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29161035/synthesis-of-photoswitchable-%C3%AE-9-tetrahydrocannabinol-derivatives-enables-optical-control-of-cannabinoid-receptor-1-signaling
#17
Matthias Westphal, Michael Andreas Schafroth, Roman Sarott, Michael Imhof, Christian Bold, Philipp Leippe, Amey Dhopeshwarkar, Jessica Grandner, Vsevolod Katritch, Ken Mackie, Dirk Trauner, Erick M Carreira, James Allen Frank
The cannabinoid receptor 1 (CB1) is an inhibitory G protein-coupled receptor abundantly expressed in the central nerv-ous system. It has rich pharmacology and largely accounts for the recreational use of cannabis. We describe efficient asymmetric syntheses of four photoswitchable Δ(9)-tetrahydrocannabinol derivatives (azo-THCs) from a central building block 3-Br-THC. Using electrophysiology and a FRET-based cAMP assay, two compounds are identified as potent CB1 agonists that change their effect upon illumination...
November 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29161011/the-design-of-plasmodium-vivax-hypoxanthine-guanine-phosphoribosyltransferase-inhibitors-as-potential-antimalarial-therapeutics
#18
Dianne T Keough, Dominik Rejman, Radek Pohl, Eva Zborníková, Dana Hockova, Tristan Croll, Michael D Edstein, Geoff W Birrell, Marina Chavchich, Lieve M J Naesens, Gregory K Pierens, Ian M Brereton, Luke W Guddat
Plasmodium falciparum (Pf) and Plasmodium vivax (Pv) are the foremost causative agents of malaria. Due to the development of resistance to current antimalarial medications, new drugs for this parasitic disease need to be discovered. The activity of hypoxanthine-guanine-[xanthine]-phosphoribosyltransferase, HG[X]PRT, is reported to be essential for the growth of both of these parasites, making it an excellent target for antimalarial drug discovery. Here, we have used rational structure-based methods to design an inhibitor, [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine, of PvHGPRT and PfHGXPRT which has Ki values of 8 nM and 7 nM, respectively for these two enzymes...
November 21, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/29161006/top-dnj-a-selective-inhibitor-of-endoplasmic-reticulum-%C3%AE-glucosidase-ii-exhibiting-anti-flaviviral-activity
#19
J L Kiappes, Michelle L Hill, Dominic S Alonzi, Joanna L Miller, Ren Iwaki, Andrew C Sayce, Alessandro T Caputo, Atsushi Kato, Nicole Zitzmann
Iminosugars have therapeutic potential against a range of diseases, due to their efficacy as glycosidase inhibitors. A major challenge in the development of iminosugar drugs lies in making a compound that is selective for the glycosidase associated with a given disease. We report the synthesis of ToP-DNJ, an antiviral iminosugar-tocopherol conjugate. Tocopherol was incorporated into the design of the iminosugar in order to direct the drug to the liver and immune cells, specific tissues of interest for antiviral therapy...
November 21, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/29160953/assessing-hypervalency-in-iodanes
#20
Andras Stirling
The so-called hypervalent iodane compounds are very useful and versatile reactants and oxidizing agents in modern organic chemistry. The hypercoordinated central iodine in these compounds hints hypervalent state which is often stressed to justify their reactivity. In this study a theoretical analysis of the electronic structure of a large, representative set of hypercoordinated iodane compounds has been done. We obtained that the iodonium is not hypervalent in these compounds. In contrast, the analysis reveals a variation of the iodine valence state from normal octet state to hypovalent depending on the ligands, but irrespective of the coordination number...
November 21, 2017: Chemistry: a European Journal
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