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https://www.readbyqxmd.com/read/28107736/crystal-structures-binding-interactions-and-adme-evaluation-of-brain-penetrant-n-substituted-indazole-5-carboxamides-as-subnanomolar-selective-monoamine-oxidase-b-and-dual-mao-a-b-inhibitors
#1
Nikolay T Tzvetkov, Hans-Georg Stammler, Beate Neumann, Silvia Hristova, Liudmil Antonov, Marcus Gastreich
The pharmacological and physicochemical analysis of structurally optimized N-alkyl-substituted indazole-5-carboxamides, developed as potential drug and radioligand candidates for the treatment and diagnosis of Parkinson's disease (PD) and other neurological disorders, is reported. Recent efforts have been focused on the development of subnanomolar potent, selective MAO-B (N1-alkyl-substituted compounds 12a-14a and 15) and dual active MAO-A/B (N2-methylated compounds 12b-14b) inhibitors with nanomolar potency towards MAO-B and moderately active against MAO-A enzyme, respectively...
January 11, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28107633/binding-and-proton-blockage-by-amantadine-variants-of-the-influenza-m2wt-and-m2s31n-explained
#2
Christina Tzitzoglaki, Anna K Wright, Kathrin-Maria Freudenberger, Anja Hoffmann, Ian Tietjen, Ioannis Stylianakis, Felix Kolarov, David Fedida, Michaela Schmidtke, Guenter Gauglitz, Timothy A Cross, Antonios Kolocouris
While aminoadamantanes are well-established inhibitors of the influenza A M2 proton channel, the mechanisms by which they are rendered ineffective against M2S31N are unclear. Solid state NMR, isothermal titration calorimetry, electrophysiology, anti-viral assays and molecular dynamics simulations suggest stronger binding interactions for aminoadamantanes to M2WT compared to negligible or weak binding to M2S31N. This is due to reshaping of the M2pore when N31 is present, which in contrast to WT, leads: A) to the loss of the V27 pocket for the adamantyl cage and to a predominant orientation of the ligand's ammonium group toward the N-terminus and, B) to the lack of a helical kink upon ligand binding...
January 20, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28107379/experimental-and-in-silico-investigation-of-anti-microbial-activity-of-1-chloro-2-isocyanatoethane-derivatives-of-thiomorpholine-piperazine-and-morpholine
#3
Charles O Nwuche, Oguejiofo T Ujam, Akachukwu Ibezim, Ifeoma B Ujam
The Antibiogram properties of 1-chloro-2-isocyanatoethane derivatives of thiomorpholine (CTC), piperazine (CPC) and morpholine (CMC) were evaluated by the approved agar well diffusion, the minimum inhibitory concentration (MIC) and in silico techniques. A total of fourteen microbial cultures consisting of ten bacteria and four yeast strains were used in the biological study while affinity of the compounds for DNA gyrase, a validated antibacterial drug target, was investigated by docking method. Results indicate that both thiomorpholine and piperazine had zero activity against the Gram negative organisms tested...
2017: PloS One
https://www.readbyqxmd.com/read/28107295/healthcare-transformation-and-changing-roles-for-nursing
#4
Susan W Salmond, Mercedes Echevarria
Factors driving healthcare transformation include fragmentation, access problems, unsustainable costs, suboptimal outcomes, and disparities. Cost and quality concerns along with changing social and disease-type demographics created the greatest urgency for the need for change. Caring for and paying for medical treatments for patients suffering from chronic health conditions are a significant concern. The Affordable Care Act includes programs now led by the Centers for Medicare & Medicaid Services aiming to improve quality and control cost...
January 2017: Orthopaedic Nursing
https://www.readbyqxmd.com/read/28107250/evaluating-excessive-burden-of-depression-on-health-status-and-health-care-utilization-among-patients-with-hypertension-in-a-nationally-representative-sample-from-the-medial-expenditure-panel-survey-meps-2012
#5
Hui Shao, Mir Umer Mohammed, Nick Thomas, Saleh Babazadeh, Shuang Yang, Qian Shi, Lizheng Shi
Depression and hypertension frequently present together in clinical practice. Evaluating the interaction between depression and hypertension would help stakeholders better understand the value of depression prevention in primary care. This retrospective study aimed to evaluate the excessive burden of depression on overall health and on health care utilization expenditure among hypertensive patients. A total of 7019 hypertensive patients (ICD-9-CM: 401) were identified from the 2012 Medical Expenditure Panel Survey (MEPS 2012) data, of which 936 patients had depression (ICD-9-CM: 311)...
January 18, 2017: Journal of Nervous and Mental Disease
https://www.readbyqxmd.com/read/28107121/a-case-based-approach-to-evaluate-the-potential-risks-associated-with-fluoroquinolones-and-steroids
#6
Timothy Nguyen, Karin Gelband
Fluoroquinolones (FQs) are a frequently prescribed class of antibacterial agents. FQs are widely used but may carry serious side effects particularly pronounced in older adults, and the Food and Drug Administration recently suggested FQs should not be routinely used in certain conditions if alternative options are available. Research has demonstrated that the risk of tendinitis and tendon rupture associated with FQs is one of the highest in older adults who are concurrently treated with steroids. Health care providers and pharmacists involved in the treatment of older adults should be aware of this potential drug interaction, which may lead to serious side effects and safety concerns...
November 1, 2016: Consultant Pharmacist: the Journal of the American Society of Consultant Pharmacists
https://www.readbyqxmd.com/read/28106797/the-complex-relationship-between-virulence-and-antibiotic-resistance
#7
REVIEW
Meredith Schroeder, Benjamin D Brooks, Amanda E Brooks
Antibiotic resistance, prompted by the overuse of antimicrobial agents, may arise from a variety of mechanisms, particularly horizontal gene transfer of virulence and antibiotic resistance genes, which is often facilitated by biofilm formation. The importance of phenotypic changes seen in a biofilm, which lead to genotypic alterations, cannot be overstated. Irrespective of if the biofilm is single microbe or polymicrobial, bacteria, protected within a biofilm from the external environment, communicate through signal transduction pathways (e...
January 18, 2017: Genes
https://www.readbyqxmd.com/read/28106223/next-generation-of-network-medicine-interdisciplinary-signaling-approaches
#8
REVIEW
Tamas Korcsmaros, Maria Victoria Schneider, Giulio Superti-Furga
In the last decade, network approaches have transformed our understanding of biological systems. Network analyses and visualizations have allowed us to identify essential molecules and modules in biological systems, and improved our understanding of how changes in cellular processes can lead to complex diseases, such as cancer, infectious and neurodegenerative diseases. "Network medicine" involves unbiased large-scale network-based analyses of diverse data describing interactions between genes, diseases, phenotypes, drug targets, drug transport, drug side-effects, disease trajectories and more...
January 20, 2017: Integrative Biology: Quantitative Biosciences From Nano to Macro
https://www.readbyqxmd.com/read/28105946/a-physarum-inspired-prize-collecting-steiner-tree-approach-to-identify-subnetworks-for-drug-repositioning
#9
Yahui Sun, Pathima Nusrath Hameed, Karin Verspoor, Saman Halgamuge
BACKGROUND: Drug repositioning can reduce the time, costs and risks of drug development by identifying new therapeutic effects for known drugs. It is challenging to reposition drugs as pharmacological data is large and complex. Subnetwork identification has already been used to simplify the visualization and interpretation of biological data, but it has not been applied to drug repositioning so far. In this paper, we fill this gap by proposing a new Physarum-inspired Prize-Collecting Steiner Tree algorithm to identify subnetworks for drug repositioning...
December 5, 2016: BMC Systems Biology
https://www.readbyqxmd.com/read/28105877/academic-detailing-among-psychiatrists-feasibility-and-acceptability
#10
Kamini Vasudev, Joel Lamoure, Michael Beyaert, Varinder Dua, David Dixon, Jason Eadie, Larissa Husarewych, Ragu Dhir, Jatinder Takhar
Purpose Research has shown that academic detailing (AD), which includes repeated in-person educational messages in an interactive format in a physician's office, is among the most effective continuing medical education (CME) forms for improving prescribing practices and reducing drug costs. The purpose of this paper is to investigate AD's feasibility and acceptability as an educational tool among psychiatrists and its ability to facilitate positive changes in antipsychotic prescribing. Design/methodology/approach All psychiatrists practicing in Southwestern Ontario, Canada were invited to participate...
February 13, 2017: International Journal of Health Care Quality Assurance
https://www.readbyqxmd.com/read/28105136/arid1a-gene-silencing-reduces-the-sensitivity-of-ovarian-clear-cell-carcinoma-to-cisplatin
#11
Changshuai Lyu, Yinglan Zhang, Xingnan Zhou, Jinghe Lang
In ovarian clear cell carcinoma (OCCC), the mutation rate of the AT-rich interaction domain 1A (ARID1A) gene is 46-57%. However, the effects of ARID1A gene silencing by small interfering RNA (siRNA) on the sensitivity of OCCC to cisplatin have not been investigated. Thus, this study aimed to elucidate the association between ARID1A gene silencing and drug resistance in OCCC. Three pairs of ARID1A gene siRNA fragments (siRNA-1, siRNA-2 and siRNA-3) were designed and transiently transfected into ES2 OCCC cells using RNAi Max reagent...
December 2016: Experimental and Therapeutic Medicine
https://www.readbyqxmd.com/read/28104833/idiosyncratic-drug-induced-liver-injury-is-drug-cytokine-interaction-the-linchpin
#12
Robert A Roth, Ashley R Maiuri, Patricia E Ganey
Idiosyncratic drug-induced liver injury continues to be a human health problem in part because drugs that cause these reactions are not identified in current preclinical testing and because progress in prevention is hampered by incomplete knowledge of mechanisms that underlie these adverse responses. Several hypotheses involving adaptive immune responses, inflammatory stress, inability to adapt to stress, and multiple, concurrent factors have been proposed. Yet much remains unknown about how drugs interact with the liver to effect death of hepatocytes...
February 2017: Journal of Pharmacology and Experimental Therapeutics
https://www.readbyqxmd.com/read/28104567/cardiovascular-toxicity-of-angiogenesis-inhibitors-in-treatment-of-malignancy-a-systematic-review-and-meta-analysis
#13
REVIEW
Husam Abdel-Qadir, Josee-Lyne Ethier, Douglas S Lee, Paaladinesh Thavendiranathan, Eitan Amir
BACKGROUND: The cardiovascular risk of angiogenesis inhibitors is not well-quantified. We hypothesized that, compared to direct vascular endothelial growth factor (VEGF) inhibitors (anti-VEGF antibodies or decoy receptors), small molecule agents have higher risk due to their less specific mechanism. METHODS: We searched the MEDLINE, EMBASE, and Cochrane Central Register of Controlled Trials for phase III randomised controlled trials comparing angiogenesis inhibitor-based therapy to other systemic therapy...
December 30, 2016: Cancer Treatment Reviews
https://www.readbyqxmd.com/read/28104535/immune-mediated-processes-implicated-in-chemotherapy-induced-peripheral-neuropathy
#14
REVIEW
Justin G Lees, Preet G S Makker, Ryan S Tonkin, Munawwar Abdulla, Susanna B Park, David Goldstein, Gila Moalem-Taylor
Chemotherapy-induced peripheral neuropathy (CIPN) and associated neuropathic pain are challenging complications of cancer treatment. Many of the major classes of chemotherapeutics can cause neurotoxicity and significantly modulate the immune system. There is ongoing investigation regarding whether reciprocal crosstalk between the nervous and immune systems occurs and, indeed, contributes to neuropathic pain during treatment with chemotherapeutics. An emerging concept is that neuroinflammation is one of the major mechanisms underlying CIPN...
January 16, 2017: European Journal of Cancer
https://www.readbyqxmd.com/read/28104368/interaction-of-capsaicin-with-calf-thymus-dna-a-multi-spectroscopic-and-molecular-modelling-study
#15
Faizan Abul Qais, K M Abdullah, Md Maroof Alam, Imrana Naseem, Iqbal Ahmad
Studying the mode of interaction between small molecules and DNA have received much attention in recent years, as many drugs have been reported to directly interact with DNA thereby regulating the expression of many genes. Capsaicin is a capsaiciniods family phytocompound having many therapeutic applications including diabetic neuropathy, rheumatoid arthritis, prevention of DNA strand breaks and chromosomal aberrations. In this study, we have investigated the interaction of capsaicin with calf thymus DNA using a number of biophysical techniques to get an insight and better understanding of the interaction mechanism...
January 16, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28104363/insights-into-the-distinct-mechanisms-of-action-of-taxane-and-non-taxane-microtubule-stabilizers-from-cryo-em-structures
#16
Elizabeth H Kellogg, Nisreen M A Hejab, Stuart Howes, Peter Northcote, John H Miller, J Fernando Díaz, Kenneth H Downing, Eva Nogales
A number of microtubule-stabilizing agents have demonstrated or predicted potential as anticancer agents, but a detailed structural basis for their mechanism of action is still lacking. We have obtained high-resolution (3.9-4.2Å) cryo-EM reconstructions of microtubules stabilized by the taxane-site binders Taxol and zampanolide, and by peloruside, which targets a distinct, non-taxoid pocket on β-tubulin. We find that each molecule has unique distinct structural effects on the microtubule lattice structure...
January 16, 2017: Journal of Molecular Biology
https://www.readbyqxmd.com/read/28104352/comparative-proteomic-analysis-of-two-pathogenic-tritrichomonas-foetus-genotypes-there-is-more-to-the-proteome-than-meets-the-eye
#17
Leah J Stroud, Jan Šlapeta, Matthew P Padula, Dylan Druery, George Tsiotsioras, Jens R Coorssen, Colin M Stack
Certain clinical isolates of Tritrichomonas foetus infect the urogenital tract of cattle while others infect the gastrointestinal tract of cats. Previous studies have identified subtle genetic differences between these isolates with the term "genotype" adopted to reflect host origin. The aim of this work was to seek evidence of host-specific adaptation and to clarify the relationship between T. foetus genotypes. To do this we characterised the proteomes of both genotypes using two-dimensional gel electrophoresis (2DE) coupled with LC-MS/MS...
January 16, 2017: International Journal for Parasitology
https://www.readbyqxmd.com/read/28104205/drug-drug-interactions-when-switching%C3%A2-between-intravenous-and-oral%C3%A2-p2y12-receptor-inhibitors-how-real-is-it
#18
EDITORIAL
Fabiana Rollini, Francesco Franchi, Dominick J Angiolillo
No abstract text is available yet for this article.
January 23, 2017: JACC. Cardiovascular Interventions
https://www.readbyqxmd.com/read/28104204/randomized-comparison-of-oral-p2y12-receptor-inhibitor-loading-strategies-for-transitioning-from-cangrelor-the-excelsiorload2-trial
#19
Willibald Hochholzer, Pascal Kleiner, Iris Younas, Christian M Valina, Nikolaus Löffelhardt, Michael Amann, Timo Bömicke, Miroslaw Ferenc, Dieter Hauschke, Dietmar Trenk, Franz-Josef Neumann, Christian Stratz
OBJECTIVES: This randomized trial tested whether early loading with prasugrel can provide sufficient platelet inhibition even when given at the start of a 2-h infusion of cangrelor. BACKGROUND: Effective platelet inhibition with intravenous cangrelor reduces the risk of ischemic complications during percutaneous coronary intervention (PCI). Transitioning to oral therapy with clopidogrel or prasugrel is only recommended after discontinuation of cangrelor due to drug interactions...
January 23, 2017: JACC. Cardiovascular Interventions
https://www.readbyqxmd.com/read/28104136/acute-calcineurin-inhibitor-nephrotoxicity-secondary-to-turmeric-intake-a-case-report
#20
A Nayeri, S Wu, E Adams, C Tanner, J Meshman, I Saini, W Reid
Tacrolimus, also known as FK-506, is a potent immunosuppressant agent with a host of drug-drug and food-drug interactions. We present the first case of a probable food-drug interaction between the herb turmeric and tacrolimus leading to acute calcineurin inhibitor nephrotoxicity. A 56-year-old man with a history of orthotopic liver transplantation presented to the emergency department from the clinic with worsening edema in the setting of an elevated creatinine level of 4.2 mg/dL. Before the current presentation, the patient had been recently discharged on a previously tolerated low-dose regimen of tacrolimus with a whole-blood tacrolimus level within the desired range...
January 2017: Transplantation Proceedings
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