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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/29161764/mechanism-of-doxorubicin-cardiotoxicity-evaluated-by-integrating-multiple-molecular-effects-into-a-biophysical-model
#3
M Fernandez-Chas, M J Curtis, S A Niederer
BACKGROUND AND PURPOSE: Doxorubicin (DOX) is an effective cancer therapeutic agent but causes therapy-limiting cardiotoxicity. The effects of DOX and its metabolite doxorubicinol (DOXL) on individual channels have been well characterised in isolation. However, it is unknown how the action and interaction of affected channels combine to generate the phenotypic cardiotoxic outcome. We sought to develop an in silico model that links drug effects on channels to action potential duration (APD) and intracellular Ca(2+) concentration in order to address this gap in knowledge...
November 21, 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29161646/antimicrobial-colloidal-hydrogels-assembled-by-graphene-oxide-and-thermo-sensitive-nanogels-for-cell-encapsulation
#4
Wenhua Cheng, Yunhua Chen, Lijing Teng, Bingheng Lu, Li Ren, Yingjun Wang
Hydrogels are promising 3D materials that have demonstrated increasing applications in the encapsulation and delivery of drugs and cells. Herein we report an injectable colloidal hydrogel that directly assembled by graphene oxide (GO) and thermo-sensitive nanogels (tNG). The pH dependent hydrogen bonding interactions between the carboxyl and oxethyl groups induce the reversible assembly of GO and nanogels. The hydrogel is mouldable and can be shaped into different macroscopic objects, and the mechanical strengths are tunable with pH and temperature adjustment...
November 8, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/29161497/three-dimensional-microstructured-poly-vinyl-alcohol-hydrogel-platform-for-the-controlled-formation-of-multicellular-cell-spheroids
#5
Xiao-Qiu Dou, Ping Li, Holger Schönherr
Three-dimensional (3D) multicellular cell spheroids (MCSs) are excellent in vitro cell models, in which e.g. the in vivo cell-cell interaction processes are much better mimicked than in conventional two-dimensional (2D) cell layers. However, the difficulties in the generation of well-defined MCSs with controlled size severely limit their application. Herein, low-adhesive poly(vinyl alcohol) (PVA) hydrogels structured with inverted pyramid-shaped microwells were used to guide the aggregation of cells into MCSs...
November 21, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/29161298/controlled-placement-of-multiple-cns-cell-populations-to-create-complex-neuronal-cultures
#6
D Soscia, A Belle, N Fischer, H Enright, A Sales, J Osburn, W Benett, E Mukerjee, K Kulp, S Pannu, E Wheeler
In vitro brain-on-a-chip platforms hold promise in many areas including: drug discovery, evaluating effects of toxicants and pathogens, and disease modelling. A more accurate recapitulation of the intricate organization of the brain in vivo may require a complex in vitro system including organization of multiple neuronal cell types in an anatomically-relevant manner. Most approaches for compartmentalizing or segregating multiple cell types on microfabricated substrates use either permanent physical surface features or chemical surface functionalization...
2017: PloS One
https://www.readbyqxmd.com/read/29161158/drug-use-and-incarceration-among-rural-appalachian-women-findings-from-a-jail-sample
#7
Michele Staton, Gabriele Ciciurkaite, Carrie Oser, Martha Tillson, Carl Leukefeld, J Matthew Webster, Jennifer R Havens
BACKGROUND/OBJECTIVE: The purpose of this paper is to examine drug use and incarceration history among rural Appalachian women. METHODS: This study involved random selection, screening, and interviews with rural women from local jails in Appalachia. RESULTS: Of the women randomly selected and screened, 97% met criteria for substance use intervention. Significant factors associated with incarceration history included age, education, custody status, and mental health...
November 21, 2017: Substance Use & Misuse
https://www.readbyqxmd.com/read/29161028/exploring-the-active-centre-of-lsd1-corest-complex-by-molecular-dynamics-simulation-utilizing-its-co-crystallized-cofactor-tetrahydrofolate-as-a-probe
#8
Waleed A A Zalloum, Hiba M Zalloum
Epigenetic targeting of cancer is a recent era to manipulate the gene without destroying the genetic material. Lysine-specific demethylase 1 (LSD1) is one of the enzymes associated with the chromatin for post-translational modifications, where it demethylates lysine amino acid in the chromatin H3 tail. Many studies showed that inhibiting LSD1 could potentially be used to treat cancer epigenetically. LSD1 is associated with its corepressor protein CoREST, and uses tetrahydrofolate as a cofactor to accept CH2 from the demethylation process...
November 21, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29160731/combination-antiretroviral-therapy-accelerates-immune-recovery-in-patients-with-hiv-related-lymphoma-treated-with-epoch-a-comparison-within-one-prospective-trial-amc034
#9
Carlyn Rose C Tan, Stefan K Barta, Jeannette Lee, Michelle A Rudek, Joseph A Sparano, Ariela Noy
Drug-drug interactions between cART and chemotherapy may impact HIV and lymphoma control or lead to increased toxicities. No prospective comparative data informs potential harms and benefits. In AMC034, HIV-associated high-grade B-cell NHL patients received DA-EPOCH with rituximab. cART was given with EPOCH or delayed until chemotherapy completion per investigator choice. Pharmacokinetic, immunological, and treatment effects of concurrent cART were evaluated. CD4 counts dropped during EPOCH in both groups but recovered to higher than baseline 6 months post-EPOCH only in the cART group...
November 21, 2017: Leukemia & Lymphoma
https://www.readbyqxmd.com/read/29160706/synthesis-and-characterization-of-ultralow-fouling-poly-n-acryloyl-glycinamide-brushes
#10
Fengyu Yang, Yonglan Liu, Yanxian Zhang, Baiping Ren, Jianxiong Xu, Jie Zheng
Rational design of biomaterials with antifouling properties still remains a challenge, but is important for many bench-to-bedside applications for biomedical implants, drug delivery carriers, and marine coatings. Herein we synthesized and characterized poly(N-acryloylglycinamide) (polyNAGA) and then grafted poly(NAGA) onto Au substrate to form polymer brushes with well controlled film stability, wettability and thickness using the surface-initiated atom transfer radical polymerization (SI-ATRP). The NAGA monomer integrates two hydrophilic amides on the side chain to enhance surface hydration, which is thought as a critical contributor to antifouling property...
November 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29160627/native-and-microwave-modified-terminalia-mantaly-gums-as-sustained-release-and-bioadhesive-excipients-in-naproxen-matrix-tablet-formulations
#11
Michael Ayodele Odeniyi, Babatunde Mukhtar Oyedokun, Oluyemisi Adebowale Bamiro
BACKGROUND: Hydrophilic polymers provide a means of sustaining drug delivery. Native gums may be limited in function, but modification may improve their activity. OBJECTIVES: The aim of the study was to evaluate native and modified forms of Terminalia mantaly gum for their sustained-release and bioadhesive properties. MATERIAL AND METHODS: The native gum (NTM) was modified by microwave irradiation for 20 seconds (MTM20) and 60 seconds (MTM60) and characterized using microscopy, Fourier transform infrared spectroscopy (FTIR) and packing properties...
January 2017: Polimery W Medycynie
https://www.readbyqxmd.com/read/29160601/metalated-chromene-and-chromone-complexes-ph-switchable-metal-carbon-bonding-interaction-photo-triggerable-chromone-delivery-application-and-antioxidative-activity
#12
Sze-Wing Ng, Lai-Hon Chung, Chi-Fung Yeung, Hoi-Shing Lo, Hau-Lam Shek, Tian-Shu Kang, Chung-Hang Leung, Chun-Yuen Wong
The two families of Ru(II)-chromene and -chromone complexes isolated in this work represent the first examples of metalated chromene and chromone complexes synthesized through transition-metal mediated cyclization of phenol-tethered ynone. These unprecedented metalated heterocyclic compounds exhibit remarkable features, such as pH-switchable metal-carbon bonding interactions, photo-triggerable release of organic chromone upon visible-light irradiation, and superior antioxidative property to their organic analog (1,4-benzopyrone)...
November 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29159913/a-small-organic-molecule-blocks-egfr-transport-into-the-nucleus-by-the-non-classical-pathway-resulting-in-repression-of-cancer-invasion
#13
Siyoung Ha, Jangho Jeong, Jiwon Oh, Sangmyung Rhee, Seung Wook Ham
In addition to the traditional epidermal growth factor receptor (EGFR) signaling pathways, nuclear EGFR has been shown to control multiple cellular functions, including cell proliferation and invasion. It has been reported that EGFR is transported into the nucleus after forming a complex with KPNA/KPNB1 or KPNB1. In this study, we have shown that EGFR can interact with both KP and KPNA, but EGF-activated EGFR mostly binds with KPNB1 through the pull-down assay. We also found that a small organic molecule (compound 1), an effective binder of KPNB1, inhibited the interaction between EGFR and KPNB1 in the non-classical transport pathway, but not KPNA...
November 20, 2017: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/29159791/determining-personalized-treatment-by-gene-expression-profiling-in-metastatic-breast-carcinoma-patients-a-pilot-study
#14
M Sureda, J Rebollo, E Mª Martínez-Navarro, F J Fernández-Morejón, J Farré, V Muñoz, P Bretcha-Boix, M Duarte, R G Manzano, A Crespo, M Del Carmen Redal, B Valenzuela, A Brugarolas
PURPOSE: The present study evaluates the massive study of gene expression in metastatic breast carcinoma (MBC) patients using microarray gene expression profiling (MAGE) complemented with conventional sequencing, immunohistochemistry (IHC) and fluorescent "in situ" hybridization (FISH), seeking to optimize the treatment in a subset of heavily pretreated patients and with limited life expectancy. PATIENTS, MATERIAL AND METHODS: MBC patients in hormone therapy progression with survival expectancy of at least 3 months (m) have been included...
November 20, 2017: Clinical & Translational Oncology
https://www.readbyqxmd.com/read/29159771/cldn6-enhances-chemoresistance-to-adm-via-af-6-erks-pathway-in-tnbc-cell-line-mdamb231
#15
Minlan Yang, Yanru Li, Yang Ruan, Yan Lu, Dongjing Lin, Yinping Xie, Bing Dong, Qihua Dang, Chengshi Quan
Claudin-6 (CLDN6), a critical tight junction protein acting as a tumor suppressor in breast cancer, is also considered to be a stem cell marker. Triple-negative breast cancer (TNBC) is a subtype of claudin-low and stem cell-like breast cancer which is chemoresistant to multiple anti-cancer drugs. The aim of our study was to determine whether CLDN6 plays a role in chemoresistance of TNBC. We found that overexpression of CLDN6 in TNBC cell line MDAMB231 significantly inhibited cell growth, migration, and invasion...
November 20, 2017: Molecular and Cellular Biochemistry
https://www.readbyqxmd.com/read/29159598/etox-allies-an-automated-pipeline-for-linear-interaction-energy-based-simulations
#16
Luigi Capoferri, Marc van Dijk, Ariën S Rustenburg, Tsjerk A Wassenaar, Derk P Kooi, Eko A Rifai, Nico P E Vermeulen, Daan P Geerke
BACKGROUND: Computational methods to predict binding affinities of small ligands toward relevant biological (off-)targets are helpful in prioritizing the screening and synthesis of new drug candidates, thereby speeding up the drug discovery process. However, use of ligand-based approaches can lead to erroneous predictions when structural and dynamic features of the target substantially affect ligand binding. Free energy methods for affinity computation can include steric and electrostatic protein-ligand interactions, solvent effects, and thermal fluctuations, but often they are computationally demanding and require a high level of supervision...
November 21, 2017: Journal of Cheminformatics
https://www.readbyqxmd.com/read/29159213/dataset-generated-for-dissection-of-mechanisms-of-trypanothione-reductase-and-tryparedoxin-peroxidase-through-dynamic-network-analysis-and-simulations-in-leishmaniasis
#17
Anurag Kumar, Bhaskar Saha, Shailza Singh
Leishmaniasis is the second largest parasitic killer disease caused by the protozoan parasite Leishmania, transmitted by the bite of sand flies. It's endemic in the eastern India with 165.4 million populations at risk with the current drug regimen. Three forms of leishmaniasis exist in which cutaneous is the most common form caused by Leishmania major. Trypanothione Reductase (TryR), a flavoprotein oxidoreductase, unique to thiol redox system, is considered as a potential target for chemotherapy for trypanosomatids infection...
December 2017: Data in Brief
https://www.readbyqxmd.com/read/29159145/ph-responsive-cross-linked-polymeric-matrices-based-on-natural-polymers-effect-of-process-variables-on-swelling-characterization-and-drug-delivery-properties
#18
Fahad Naeem, Samiullah Khan, Aamir Jalil, Nazar Muhammad Ranjha, Amina Riaz, Malik Salman Haider, Shoaib Sarwar, Fareha Saher, Samrin Afzal
Introduction: The current work was aimed to design and synthesize novel crosslinked pH-sensitive gelatin/pectin (Ge/Pec) hydrogels using different polymeric ratios and to explore the effect of polymers and degree of crosslinking on dynamic, equilibrium swelling and in vitro release behavior of the model drug (Mannitol). Methods: The Ge/Pec based hydrogels were prepared using glutaraldehyde as the crosslinker. Various structural parameters that affect their release behavior were determined, including swelling study, porosity, sol-gel analysis, average molecular weight between crosslinks (Mc), volume fraction of polymer (V2,s), solvent interaction parameter (χ) and diffusion coefficient...
2017: BioImpacts: BI
https://www.readbyqxmd.com/read/29159142/investigation-of-the-binding-mechanism-and-inhibition-of-bovine-liver-catalase-by-quercetin-multi-spectroscopic-and-computational-study
#19
Samaneh Rashtbari, Gholamreza Dehghan, Reza Yekta, Abolghasem Jouyban
Introduction: The study on the side effects of various drugs and compounds on enzymes is a main issue for monitoring the conformational and functional changes of them. Quercetin (3,5,7,3',4'-pentahydroxyflavone, QUE), a polyphenolic flavonoid, widely found in fruits, vegetables and it is used as an ingredient in foods and beverages. The interaction of bovine liver catalase (BLC) with QUE has been studied in this research by using different spectroscopic methods. Methods: In this work, the interaction of QUE with BLC was investigated using different spectroscopic methods including ultraviolet-visible (UV-vis) absorption, circular dichroism (CD) and fluorescence spectroscopy and molecular docking studies...
2017: BioImpacts: BI
https://www.readbyqxmd.com/read/29159026/highlights-for-the-6th-international-ion-channel-conference-ion-channel-structure-function-disease-and-therapeutics
#20
Limei Wang, Kewei Wang
To foster communication and interactions amongst international scholars and scientists in the field of ion channel research, the 6th International Ion Channel Conference (IICC-2017) was held between June 23-27, 2017 in the eastern coastal city of Qingdao, China. The meeting consisted of 450 attendees and 130 speakers and poster presenters. The program consisted of research progress, new findings and ongoing studies that were focused on (1) Ion channel structure and function; (2) Ion channel physiology and human diseases; (3) Ion channels as targets for drug discovery; (4) Technological advances in ion channel research...
November 2017: Acta Pharmaceutica Sinica. B
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