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https://www.readbyqxmd.com/read/28092388/exploration-and-analysis-of-drug-modes-of-action-through-feature-integration
#1
Mingyuan Xin, Jun Fan, Mingyao Liu, Zhenran Jiang
Identifying drug modes of action (MoA) is of paramount importance for having a good grasp of drug indications in clinical tests. Anticipating MoA can help to discover new uses for approved drugs. Here we first used a drug-set enrichment analysis method to discover significant biological activities in every mode of action category. Then, we proposed a new computational model, a probability ensemble approach based on Bayesian network theory, which integrated chemical, therapeutic, genomic and phenotypic properties of over a thousand of FDA approved drugs to assist with the prediction of MoA...
January 16, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28074539/ritterostatin-gn1n-a-cephalostatin-ritterazine-bis-steroidal-pyrazine-hybrid-selectively-targets-grp78
#2
Andrew J Ambrose, Evelyne A Santos, Paula C Jimenez, Danilo D Rocha, Diego V Wilke, Paolo Beuzer, Josh Axelrod, Ananda Kumar Kanduluru, Philip L Fuchs, Hu Cang, Letícia V Costa-Lotufo, Eli Chapman, James J La Clair
Natural products discovered using agnostic approaches, unlike rationally designed or HTS obtained leads, offer the ability to reveal new biological pathways, and hence, serve as an important vehicle to unveil new avenues in drug discovery. The ritterazine-cephalostatin family of natural products displays robust and potent anti-tumor activities, with sub-nanomolar growth inhibition against multiple cell lines and potent activity in xenograft models. Herein, we use comparative cellular and molecular biological methods to uncover the ritterazine/cephalostatin mode of cytotoxic action (MOA) in human tumor cells...
January 10, 2017: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/28068981/factors-affecting-evidence-use-in-food-policy-making-processes-in-health-and-agriculture-in-fiji
#3
Gade Waqa, Colin Bell, Wendy Snowdon, Marj Moodie
BACKGROUND: There is limited research on the use of evidence to inform policy-making in the Pacific. This study aims to identify and describe factors that facilitate or limit the use of evidence in food-related policy-making in the Health and Agriculture Ministries in Fiji. METHODS: Semi-structured face-to-face interviews were conducted with selected policy-makers in two government ministries that were instrumental in the development of food-related policies in Fiji designed to prevent Non-Communicable Diseases (NCDs)...
January 9, 2017: BMC Public Health
https://www.readbyqxmd.com/read/28063597/living-near-major-roads-and-the-incidence-of-dementia-parkinson-s-disease-and-multiple-sclerosis-a-population-based-cohort-study
#4
Hong Chen, Jeffrey C Kwong, Ray Copes, Karen Tu, Paul J Villeneuve, Aaron van Donkelaar, Perry Hystad, Randall V Martin, Brian J Murray, Barry Jessiman, Andrew S Wilton, Alexander Kopp, Richard T Burnett
BACKGROUND: Emerging evidence suggests that living near major roads might adversely affect cognition. However, little is known about its relationship with the incidence of dementia, Parkinson's disease, and multiple sclerosis. We aimed to investigate the association between residential proximity to major roadways and the incidence of these three neurological diseases in Ontario, Canada. METHODS: In this population-based cohort study, we assembled two population-based cohorts including all adults aged 20-50 years (about 4·4 million; multiple sclerosis cohort) and all adults aged 55-85 years (about 2·2 million; dementia or Parkinson's disease cohort) who resided in Ontario, Canada on April 1, 2001...
January 4, 2017: Lancet
https://www.readbyqxmd.com/read/28060893/positioning-of-tacrolimus-for-the-treatment-of-diabetic-nephropathy-based-on-computational-network-analysis
#5
Constantin Aschauer, Paul Perco, Andreas Heinzel, Judith Sunzenauer, Rainer Oberbauer
OBJECTIVE: To evaluate tacrolimus as therapeutic option for diabetic nephropathy (DN) based on molecular profile and network-based molecular model comparisons. MATERIALS AND METHODS: We generated molecular models representing pathophysiological mechanisms of DN and tacrolimus mechanism of action (MoA) based on literature derived data and transcriptomics datasets. Shared enriched molecular pathways were identified based on both model datasets. A newly generated transcriptomics dataset studying the effect of tacrolimus on mesangial cells in vitro was added to identify mechanisms in DN pathophysiology...
2017: PloS One
https://www.readbyqxmd.com/read/28052490/population-relevant-endpoints-in-the-evaluation-of-endocrine-active-substances-eas-for-ecotoxicological-hazard-and-risk-assessment
#6
Mary S Marty, Amy Blankinship, Janice Chambers, Lisa Constantine, Werner Kloas, Anupama Kumar, Laurent Lagadic, James Meador, Daniel Pickford, Tamar Schwarz, Tim Verslycke
For ecotoxicological risk assessment, endocrine disruptors require the establishment of an endocrine mode of action (MoA) with a plausible linkage to a population-relevant adverse effect. Current ecotoxicity test methods mostly incorporate apical endpoints although some also include mechanistic endpoints, subcellular-through-organ-level, which can help establish an endocrine MoA. However, the link between these endpoints and adverse population-level effects is often unclear. The case studies of endocrine-active substances (EAS) (tributyltin, ethinylestradiol, perchlorate, trenbolone, propiconazole, and vinclozolin) evaluated for the SETAC Pellston Workshop™: Environmental Hazard and Risk Assessment Approaches for Endocrine-Active Chemicals were used to evaluate the population relevance of toxicity endpoints in various taxa according to regulatory endocrine disruptor frameworks such as the OECD Conceptual Framework for Testing and Assessment of Endocrine Disruptors...
January 4, 2017: Integrated Environmental Assessment and Management
https://www.readbyqxmd.com/read/28028626/migraine-causes-retinal-and-choroidal-structural-changes-evaluation-with-ocular-coherence-tomography
#7
Ester Reggio, Clara G Chisari, Giulia Ferrigno, Francesco Patti, Giulia Donzuso, Giorgia Sciacca, Teresio Avitabile, Salvatore Faro, Mario Zappia
Few studies have evaluated whether the retina is involved in migraine through the evaluation of retinal nerve fiber layer (RNFL) examined with ocular coherence tomography (OCT) with conflicting results. Aim of this case-control study is to evaluate the retina and the choroid in migraine. Patients having migraine with aura (MwA) or without aura (MoA) and chronic migraine (CM) were evaluated. Age- and sex-matched normal subjects were selected as healthy controls (HC). Patients and HC were examined with OCT. RNFL, ganglion cell layer (GCL), foveal thickness (FT), choroidal thickness (CT) and total macular volume (TMV) were calculated for right eyes (RE) and left eyes (LE)...
December 27, 2016: Journal of Neurology
https://www.readbyqxmd.com/read/28024242/aneugenicity-and-clastogenicity-in-freshwater-fish-oreochromis-niloticus-exposed-to-incipient-safe-concentration-of-tannery-effluent
#8
Abel Weldetinsae, Mekibib Dawit, Abebe Getahun, H S Patil, Esayas Alemayehu, Melaku Gizaw, Moa Abate, Daniel Abera
Conventional effluent bioassays mostly rely on overt responses or endpoints such as apical and Darwinian fitness. Beyond the empirical observation, laboratory toxicity testing needs to rely on effective detection of prognostic biomarkers such as genotoxicity. Indeed, characterization of tannery effluent requires slotting in of genotoxic responses in whole effluent toxicity testing procedures. Hence, the prime objective of the present experimental investigation is to apply the technique of biological assay as a tool of toxicity testing to evaluate the induction of micronuclei (MN) in peripheral erythrocytes, and exfoliated cells of gill and kidney of O...
December 23, 2016: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/28012934/costs-associated-with-treatment-of-severe-combined-immunodeficiency-scid-rationale-for-newborn-screening-in-sweden
#9
Ann Gardulf, Jacek Winiarski, Moa Thorin, Marianne Heibert Arnlind, Ulrika von Döbeln, Lennart Hammarström
No abstract text is available yet for this article.
December 21, 2016: Journal of Allergy and Clinical Immunology
https://www.readbyqxmd.com/read/28010149/outcomes-of-tumor-necrosis-factor-inhibitor-cycling-versus-switching-to-a-disease-modifying-anti-rheumatic-drug-with-a-new-mechanism-of-action-among-patients-with-rheumatoid-arthritis
#10
Benjamin Chastek, Laura K Becker, Chieh-I Chen, Puneet Mahajan, Jeffrey R Curtis
OBJECTIVES: To examine treatment patterns, treatment effectiveness, and treatment costs for 1 year after patients with rheumatoid arthritis switched from a tumor necrosis factor inhibitor (TNFi) (adalimumab, certolizumab pegol, etanercept, golimumab, or infliximab), either cycling to another TNFi ("TNFi cyclers") or switching to a new mechanism of action (abatacept, tocilizumab, or tofacitinib) ("new MOA switchers"). METHODS: This retrospective cohort study used administrative claims data for a national insurer...
January 4, 2017: Journal of Medical Economics
https://www.readbyqxmd.com/read/28009435/anti-cd22-and-anti-cd79b-antibody-drug-conjugates-preferentially-target-proliferating-b-cells
#11
Franklin K Fuh, Caroline Looney, Dongwei Li, Kirsten A Poon, Randall C Dere, Dimitry M Danilenko, Jacqueline McBride, Chae Reed, Shan Chung, Bing Zheng, William R Mathews, Andrew Polson, Saileta Prabhu, Marna Williams
BACKGROUND AND PURPOSE: CD22 and CD79b are cell-surface receptors expressed on B-cell-derived malignancies such as non-Hodgkin's lymphoma (NHL). An anti-mitotic agent monomethyl auristatin E was conjugated to anti-CD22 and anti-CD79b antibodies to develop target-specific therapies for NHL. The mechanism of action (MOA) and pharmacologic and pharmacokinetic (PK) profiles of these antibody-drug conjugates (ADCs) were investigated in cynomolgus monkeys. EXPERIMENTAL APPROACH: Animals were administered anti-CD22 or anti-CD79b ADCs, respective unconjugated antibodies, or vehicle...
December 23, 2016: British Journal of Pharmacology
https://www.readbyqxmd.com/read/27995347/the-cholinomimetic-morantel-as-an-open-channel-blocker-of-the-ascaris-suum-acr-16-nachr
#12
Melanie Abongwa, Katherine E Baber, Richard J Martin, Alan P Robertson
Nematode parasite infections pose a significant threat in human and veterinary medicine. At least a third of the world's population is at risk from nematode parasite infections. These infections not only cause health problems, but also cause loss of livestock production and hence, economic losses. Anthelmintic drugs are the mainstay by which control of nematode parasite infections is achieved. Many of the currently available anthelmintics act on nicotinic acetylcholine receptors (nAChRs). However, the detailed mode of action (MOA) of these anthelmintics is not clearly understood...
December 2016: Invertebrate Neuroscience: IN
https://www.readbyqxmd.com/read/27993158/inter-platform-concordance-of-gene-expression-data-for-the-prediction-of-chemical-mode-of-action
#13
Chathura Siriwardhana, Susmita Datta, Somnath Datta
BACKGROUND: It is interesting to study the consistency of outcomes arising from two genomic platforms: Microarray and RNAseq, which are established on fundamentally different technologies. This topic has been frequently discussed from the prospect of comparing differentially expressed genes (DEGs). In this study, we explore the inter-platform concordance between microarray and RNASeq in their ability to classify samples based on genomic information. We use a set of 7 standard multi-class classifiers and an adaptive ensemble classifier developed around them to predict Chemical Modes of Actions (MOA) of data profiled by microarray and RNASeq platforms from Rat Liver samples exposed to a variety of chemical compounds...
December 20, 2016: Biology Direct
https://www.readbyqxmd.com/read/27939300/characterization-of-fc%C3%AE-riiia-effector-cells-used-in-in-vitro-adcc-bioassay-comparison-of-primary-nk-cells-with-engineered-nk-92-and-jurkat-t-cells
#14
Yao-Te Hsieh, Poonam Aggarwal, David Cirelli, Ling Gu, Teresa Surowy, Ned M Mozier
Antibody-dependent cell-mediated cytotoxicity (ADCC) is an important mechanism of action (MOA) of several therapeutic antibody drugs and evaluation in ADCC bioassays is important in antibody drug development and maintenance. Three types of effector cells now routinely used in bioassay evaluation of ADCC are natural killer cells from human donors (FcγRIIIA+primary NK), FcγRIIIA engineered NK-92 cells and FcγRIIIA/NFAT-RE/luc2 engineered Jurkat T cells. Engineered effector cells were developed to address need for improved precision and accuracy of classic NK cell ADCC bioassays...
December 8, 2016: Journal of Immunological Methods
https://www.readbyqxmd.com/read/27930336/resistance-mutation-conserved-between-insects-and-mites-unravels-the-benzoylurea-insecticide-mode-of-action-on-chitin-biosynthesis
#15
Vassilis Douris, Denise Steinbach, Rafaela Panteleri, Ioannis Livadaras, John Anthony Pickett, Thomas Van Leeuwen, Ralf Nauen, John Vontas
Despite the major role of chitin biosynthesis inhibitors such as benzoylureas (BPUs) in the control of pests in agricultural and public health for almost four decades, their molecular mode of action (MoA) has in most cases remained elusive. BPUs interfere with chitin biosynthesis and were thought to interact with sulfonylurea receptors that mediate chitin vesicle transport. Here, we uncover a mutation (I1042M) in the chitin synthase 1 (CHS1) gene of BPU-resistant Plutella xylostella at the same position as the I1017F mutation reported in spider mites that confers etoxazole resistance...
December 20, 2016: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/27907004/in-vitro-variant-surface-antigen-expression-in-plasmodium-falciparum-parasites-from-a-semi-immune-individual-is-not-correlated-with-var-gene-transcription
#16
Ellen Inga Bruske, Sandra Dimonte, Corinna Enderes, Serena Tschan, Matthias Flötenmeyer, Iris Koch, Jürgen Berger, Peter Kremsner, Matthias Frank
Plasmodium falciparum erythrocyte membrane protein 1 (PfEMP1) is considered to be the main variant surface antigen (VSA) of Plasmodium falciparum and is mainly localized on electron-dense knobs in the membrane of the infected erythrocyte. Switches in PfEMP1 expression provide the basis for antigenic variation and are thought to be critical for parasite persistence during chronic infections. Recently, strain transcending anti-PfEMP1 immunity has been shown to develop early in life, challenging the role of PfEMP1 in antigenic variation during chronic infections...
2016: PloS One
https://www.readbyqxmd.com/read/27899131/support-for-targeted-sampling-of-red-fox-vulpes-vulpes-feces-in-sweden-a-method-to-improve-the-probability-of-finding-echinococcus-multilocularis
#17
Andrea L Miller, Gert E Olsson, Sofia Sollenberg, Moa Skarin, Helene Wahlström, Johan Höglund
BACKGROUND: Localized concentrations of Echinococcus multilocularis eggs from feces of infected red fox (Vulpes vulpes) can create areas of higher transmission risk for rodent hosts and possibly also for humans; therefore, identification of these areas is important. However, in a low prevalence environment, such as Sweden, these areas could be easily overlooked. As part of a project investigating the role of different rodents in the epidemiology of E. multilocularis in Sweden, fox feces were collected seasonally from rodent trapping sites in two regions with known parasite status and in two regions with unknown parasite status, 2013-2015...
November 29, 2016: Parasites & Vectors
https://www.readbyqxmd.com/read/27889421/production-of-native-arbuscular-mycorrhizal-fungi-inoculum-under-different-environmental-conditions
#18
Yamir Torres-Arias, Rosalba Ortega Fors, Camila Nobre, Eduardo Furrazola Gómez, Ricardo Luis Louro Berbara
In order to obtain an arbuscular mycorrhizal fungi (AMF) native inoculum from Sierra de Moa and determine the most appropriate conditions for its big scale production, four light and temperature combinations were tested in three plant species (Calophyllum antillanum, Talipariti elatum and Paspalum notatum). Growth and development parameters, as well as the mycorrhizal functioning of the seedlings were evaluated. The natural light treatment under high temperatures (L-H) was the most suitable for the growth and development of the three plant species, showing the highest total biomass values, mainly of root, and a positive root-shoot ratio balance...
January 2017: Brazilian Journal of Microbiology: [publication of the Brazilian Society for Microbiology]
https://www.readbyqxmd.com/read/27864339/development-of-a-platform-to-enable-fully-automated-cross-titration-experiments
#19
Jason Cassaday, Michael Finley, Brian Squadroni, Sylvie Jezequel-Sur, Albert Rauch, Bharti Gajera, Victor Uebele, Jeffrey Hermes, Paul Zuck
In the triage of hits from a high-throughput screening campaign or during the optimization of a lead compound, it is relatively routine to test compounds at multiple concentrations to determine potency and maximal effect. Additional follow-up experiments, such as agonist shift, can be quite valuable in ascertaining compound mechanism of action (MOA). However, these experiments require cross-titration of a test compound with the activating ligand of the receptor requiring 100-200 data points, severely limiting the number tested in MOA assays in a screening triage...
November 1, 2016: Journal of Laboratory Automation
https://www.readbyqxmd.com/read/27864332/weak-silica-nanomaterial-induced-genotoxicity-can-be-explained-by-indirect-dna-damage-as-shown-by-the-ogg1-modified-comet-assay-and-genomic-analysis
#20
Stefan Pfuhler, Thomas R Downs, Ashley J Allemang, Yuching Shan, Meredith E Crosby
In a previous study, 15-nm silica nanoparticles (NPs) caused small increases in DNA damage in liver as measured in the in vivo comet and micronucleus assays after intravenous administration to rats at their maximum tolerated dose, a worst-case exposure scenario. Histopathological examination supported a particle-induced, tissue damage-mediated inflammatory response. This study used a targeted approach to provide insight into the mode of action (MoA) by examining transcriptional regulation of genes in liver in a time and dose-dependent manner at 1, 2, 4, 8 and 24 h after intravenous administration of 15-nm silica NPs...
January 2017: Mutagenesis
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