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https://www.readbyqxmd.com/read/28330089/discovery-of-potential-alk-inhibitors-by-virtual-screening-approach
#1
Anish Kumar, V Shanthi, K Ramanathan
Crizotinib is an anticancer drug used for the treatment of non-small cell lung cancer. Evidences available suggest that there is a development of an acquired resistance against crizotinib action due to the emergence of several mutations in the ALK gene. It is therefore necessary to develop potent anti-cancer drugs for the treatment of crizotinib resistance non-small cell lung cancer types. In the present study, a novel class of lead molecule was identified using virtual screening, molecular docking and molecular dynamic approach...
June 2016: 3 Biotech
https://www.readbyqxmd.com/read/28316240/heme-gazing-illuminating-eukaryotic-heme-trafficking-dynamics-and-signaling-with-fluorescent-heme-sensors
#2
David A Hanna, Osiris Martinez-Guzman, Amit R Reddi
Heme (iron protoporphyrin IX) is an essential protein prosthetic group and signaling molecule required for most life on Earth. All heme-dependent processes require the dynamic and rapid mobilization of heme from sites of synthesis or uptake to hemoproteins present in virtually every subcellular compartment. The cytotoxicity and hydrophobicity of heme necessitate that heme mobilization be carefully controlled to mitigate the deleterious effects of this essential toxin. Indeed, a number of disorders, including certain cancers, cardiovascular diseases, and aging and age-related neurodegenerative diseases, are tied to defects in heme homeostasis...
March 27, 2017: Biochemistry
https://www.readbyqxmd.com/read/28254074/development-of-antibacterial-conjugates-using-sulfamethoxazole-with-monocyclic-terpenes-a-systematic-medicinal-chemistry-based-computational-approach
#3
Shasank S Swain, Sudhir K Paidesetty, Rabindra N Padhy
BACKGROUND AND OBJECTIVE: To develop 6 conjugate agents of the moribund antibiotic sulfamethoxazole (SMZ) joined to 6 individual monoterpenes, followed by protocols of medicinal chemistry as potent antibacterials, against multidrug resistant (MDR) human gruesome pathogenic bacteria. METHODS: Antibacterial activities of the proposed conjugates were ascertained by the 'prediction of activity spectra of substances' (PASS) program. Drug-likeness parameters and toxicity profiles of conjugates were standardized with the Lipinski rule of five, using cheminformatic tools, Molsoft, molinspiration, OSIRIS and ProTox...
March 2017: Computer Methods and Programs in Biomedicine
https://www.readbyqxmd.com/read/28128814/-periocular-foreign-body-two-clinical-cases-with-different-management-short-title-periocular-foreign-body
#4
María Sandra Salazar-Ramos, Juan Carlos Serna-Ojeda, Osiris Olvera-Morales, José Luis Tovilla-Canales
BACKGROUND: In many cases, the presence of periocular foreign bodies continues to be a diagnostic challenge and a dilemma regarding their management in most cases. The key lies in the type of material of the foreign body and its location in the orbit to determine its management. CLINICAL CASES: We present two cases of periocular foreign body; a description of the clinical presentation and their treatment are given in each case. A review and discussion of treatment is also included...
January 2017: Gaceta Médica de México
https://www.readbyqxmd.com/read/28035709/genetic-basis-of-octanoic-acid-resistance-in-drosophila-sechellia-functional-analysis-of-a-fine-mapped-region
#5
J M Andrade López, S M Lanno, J M Auerbach, E C Moskowitz, L A Sligar, P J Wittkopp, J D Coolon
Drosophila sechellia is a species of fruit fly endemic to the Seychelles islands. Unlike its generalist sister species, D. sechellia has evolved to be a specialist on the host plant Morinda citrifolia. This specialization is interesting because the plant's fruit contains secondary defence compounds, primarily octanoic acid (OA), that are lethal to most other Drosophilids. Although ecological and behavioural adaptations to this toxic fruit are known, the genetic basis for evolutionary changes in OA resistance is not...
February 2017: Molecular Ecology
https://www.readbyqxmd.com/read/28009761/adherence-to-and-acceptance-of-once-daily-tacrolimus-after-kidney-and-liver-transplant-results-from-osiris-a-french-observational-study-erratum
#6
(no author information available yet)
No abstract text is available yet for this article.
January 2017: Transplantation
https://www.readbyqxmd.com/read/27860499/premixed-insulin-analogue-compared-with-basal-plus-regimen-for-inpatient-glycemic-control
#7
Abraham Edgar Gracia-Ramos, María Del Pilar Cruz-Domínguez, Eduardo Osiris Madrigal-Santillán, José Antonio Morales-González, Eduardo Madrigal-Bujaidar, José Leopoldo Aguilar-Faisal
BACKGROUND: No previous studies have investigated the use of a premixed insulin analogue in a hospital setting. OBJECTIVE: To compare the efficacy and safety of treatment with premixed insulin analogue (insulin lispro mix 75/25, LM75/25) with the basal-plus regimen with insulin glargine in hospitalized patients with type 2 diabetes (T2D). MATERIALS AND METHODS: A randomized clinical trial in hospitalized patients with T2D and glucose >140 mg/dL on admission was performed...
November 2016: Diabetes Technology & Therapeutics
https://www.readbyqxmd.com/read/27852883/wound-closure-in-smoking-peripheral-arterial-disease-patients-with-treatment-refractory-ulcerations-a-12-month-follow-up-case-series
#8
Jonathan Smedley, Georgina M Michael, Yeabsera G Tamire
Despite ongoing smoking cessation efforts and optimized perfusion, failed wound closure in the presence of peripheral arterial disease (PAD) and diabetes are common. A clinical effectiveness review was conducted in actively smoking diabetic patients diagnosed with PAD, treated with serial applications of a viable intact cryopreserved human placental membrane (vCPM) (Grafix, Osiris Therapeutics Inc, Columbia, MD) for recalcitrant lower extremity ulcerations (n = 6). More than half of the patients were not candidates for revascularization...
November 15, 2016: International Journal of Lower Extremity Wounds
https://www.readbyqxmd.com/read/27790789/simeprevir-plus-sofosbuvir-for-eight-or-12-weeks-in-treatment-na%C3%A3-ve-and-treatment-experienced-hepatitis-c-virus-genotype-4-patients-with-or-without-cirrhosis
#9
M El Raziky, M Gamil, M K Ashour, E A Sameea, W Doss, Y Hamada, G Van Dooren, R DeMasi, S Keim, I Lonjon-Domanec, R Hammad, M S Hashim, M Hassany, I Waked
The OSIRIS study investigated efficacy and safety of simeprevir plus sofosbuvir for eight or 12 weeks in hepatitis C virus (HCV) genotype 4-infected patients with METAVIR F0-F4 fibrosis. Sixty-three patients (33 treatment-naïve and 30 peg-interferon/ribavirin (Peg-IFN/RBV)-experienced) enrolled in a partly randomized, open-label, multicentre, phase IIa study. Patients with F0-F3 fibrosis were randomized (1:1) into two groups (A1 and A2), stratified according to treatment experience and METAVIR score, to receive either eight weeks (Group A1, n=20) or 12 weeks (Group A2, n=20) of treatment...
February 2017: Journal of Viral Hepatitis
https://www.readbyqxmd.com/read/27766221/preliminary-safety-assessment-of-new-azinesulfonamide-analogs-of-aripiprazole-using-prokaryotic-models
#10
Beata Powroźnik, Karolina Słoczyńska, Krzysztof Marciniec, Paweł Zajdel, Elżbieta Pękala
Purpose: Determination of the mutagenic potential of new biologically active compounds is of great concern for preliminary toxicity testing and drug development. Methods: The mutagenic and antimutagenic effects of some quinoline- and isoquinolinesulfonamide analogs of aripiprazole (1-8), which display potent antidepressant, anxiolytic, and antipsychotic properties, were evaluated using the Vibrio harveyi assay and OSIRIS Property Explorer software. Additionally, the Ames test was used as the reference. Results: In silico prediction showed that compounds 5 (N-(3-(4-(2,3- dichlorophenyl)piperazin-1-yl)propyl)quinoline-7-sulfonamide) and 6 (N-(4-(4-(2,3- Dichlorophenyl)piperazin-1-yl)butyl)quinoline-7-sulfonamide) trigger a mutagenic structural alert...
September 2016: Advanced Pharmaceutical Bulletin
https://www.readbyqxmd.com/read/27681807/viable-intact-cryopreserved-human-placental-membrane-for-a-non-surgical-approach-to-closure-in-complex-wounds
#11
K Suzuki, G Michael, Y Tamire
OBJECTIVE: Advances in wound treatment have yielded successful approaches to complex wound closure through plastic surgery or other staged surgical methods. However, not all patients or wounds are candidates for such increasingly rigorous levels of interventions. The exploration of non-surgical treatment options that promote anatomical and functional tissue replacement on an outpatient basis without donor site morbidity is necessary to maximise opportunities for patient mobility and rehabilitation...
October 2016: Journal of Wound Care
https://www.readbyqxmd.com/read/27667093/validation-of-osteoporosis-risk-assessment-tools-in-middle-aged-thai-women
#12
S Indhavivadhana, M Rattanachaiyanont, S Angsuwathana, K Techatraisak, P Tanmahasamut, P Leerasiri
OBJECTIVES: To validate osteoporosis risk assessment tools in middle-aged Thai women. METHODS: A total of 1038 women who had bone mineral density (BMD) measurements using dual-energy X-ray absorptiometry were reviewed. Clinical data were used to validate the diagnostic test performance of various osteoporosis risk assessment tools, including ABONE, FRAX(®), ORAI, OSIRIS, SCORE, SOFSURF, and OSTA. The following parameters were evaluated: sensitivity, specificity, negative predictive value (NPV), positive predictive value (PPV), and accuracy; those with 95% confidence interval (CI) of the receiver operator characteristics area under the curve (ROC-AUC) > 0...
December 2016: Climacteric: the Journal of the International Menopause Society
https://www.readbyqxmd.com/read/27589856/an-obstetric-sphincter-injury-risk-identification-system-osiris-is-this-a-clinically-useful-tool
#13
Sara S Webb, Karla Hemming, Madhi Y Khalfaoui, Tine Brink Henriksen, Sara Kindberg, Stine Stensgaard, Christine Kettle, Khaled M K Ismail
INTRODUCTION AND HYPOTHESIS: To establish the contribution of maternal, fetal and intrapartum factors to the risk of incidence of obstetric anal sphincter injuries (OASIS) and assess the feasibility of an OASIS risk prediction model based on variables available to clinicians prior to birth. METHODS: This was a population-based, retrospective cohort study using single-site data from the birth database of Aarhus University Hospital, Denmark. The participants were all women who had a singleton vaginal birth during the period 1989 to 2006...
March 2017: International Urogynecology Journal
https://www.readbyqxmd.com/read/27556322/profile-of-heart-donors-from-the-human-valve-bank-of-the-santa-casa-de-miseric%C3%A3-rdia-de-curitiba
#14
Renata Maria Ferreira, Marise Teresinha Brenner Affonso da Costa, Osiris Canciglieri Junior, Ângelo Márcio Oliveira Sant'Anna
INTRODUCTION: Human heart valves are used as replacement valves and have satisfactory functional results compared with conventional prostheses. OBJECTIVE: Characterize the profile of effective heart donors from the human valve bank of the santa casa de misericórdia de curitiba and analyze the association between the profile variables. METHODS: It consists of a retrospective and quantitative study of electronic medical records from heart donors for heart valves...
April 2016: Brazilian Journal of Cardiovascular Surgery
https://www.readbyqxmd.com/read/27494993/computational-strategies-to-explore-antimalarial-thiazine-alkaloid-lead-compounds-based-on-an-australian-marine-sponge-plakortis-lita
#15
Lilly Aswathy, Radhakrishnan S Jisha, Vijay H Masand, Jayant M Gajbhiye, Indira G Shibi
In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R(2) value of 0.814. Robustness, reliability, and predictive power of the model were tested by internal validation, external validation, Y-scrambling, and applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q(2) values of 0...
August 22, 2016: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/27428963/ligand-and-structure-based-approaches-for-the-identification-of-peptide-deformylase-inhibitors-as-antibacterial-drugs
#16
Jian Gao, Li Liang, Yasheng Zhu, Shengzhi Qiu, Tao Wang, Ling Zhang
Peptide deformylase (PDF) is a metalloprotease catalyzing the removal of a formyl group from newly synthesized proteins, which makes it an important antibacterial drug target. Given the importance of PDF inhibitors like actinonin in antibacterial drug discovery, several reported potent PDF inhibitors were used to develop pharmacophore models using the Galahad module of Sybyl 7.1 software. Generated pharmacophore models were composed of two donor atom centers, four acceptor atom centers and two hydrophobic groups...
July 15, 2016: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/27413345/synthesis-characterization-and-in-silico-biological-activity-of-some-2-n-n-dimethyl-guanidinyl-4-6-diaryl-pyrimidines
#17
Rajasekhar Komarla Kumarachari, Sivakumar Peta, Abdrrahman Shemsu Surur, Yenus Tadesse Mekonnen
INTRODUCTION: As pyrimidine is a basic nucleus in DNA and RNA, it has been found to be associated with diverse biological activities. Pyrimidine derivatives were reported to possess anticonvulsant, antimicrobial, anti-inflammatory, antitumor, and antihistaminic. Recently, our team reported the anti-inflammatory and antimicrobial evaluation of some pyrimidines. OBJECTIVE: To synthesize, predict and evaluate biological activity of some 2-(N,N-dimethyl guanidinyl)-4,6-diaryl pyrimidines...
July 2016: Journal of Pharmacy & Bioallied Sciences
https://www.readbyqxmd.com/read/27304881/characterization-of-five-novel-brevibacillus-bacteriophages-and-genomic-comparison-of-brevibacillus-phages
#18
Jordan A Berg, Bryan D Merrill, Justin T Crockett, Kyle P Esplin, Marlee R Evans, Karli E Heaton, Jared A Hilton, Jonathan R Hyde, Morgan S McBride, Jordan T Schouten, Austin R Simister, Trever L Thurgood, Andrew T Ward, Donald P Breakwell, Sandra Hope, Julianne H Grose
Brevibacillus laterosporus is a spore-forming bacterium that causes a secondary infection in beehives following European Foulbrood disease. To better understand the contributions of Brevibacillus bacteriophages to the evolution of their hosts, five novel phages (Jenst, Osiris, Powder, SecTim467, and Sundance) were isolated and characterized. When compared with the five Brevibacillus phages currently in NCBI, these phages were assigned to clusters based on whole genome and proteome synteny. Powder and Osiris, both myoviruses, were assigned to the previously described Jimmer-like cluster...
2016: PloS One
https://www.readbyqxmd.com/read/27247412/heme-dynamics-and-trafficking-factors-revealed-by-genetically-encoded-fluorescent-heme-sensors
#19
David A Hanna, Raven M Harvey, Osiris Martinez-Guzman, Xiaojing Yuan, Bindu Chandrasekharan, Gheevarghese Raju, F Wayne Outten, Iqbal Hamza, Amit R Reddi
Heme is an essential cofactor and signaling molecule. Heme acquisition by proteins and heme signaling are ultimately reliant on the ability to mobilize labile heme (LH). However, the properties of LH pools, including concentration, oxidation state, distribution, speciation, and dynamics, are poorly understood. Herein, we elucidate the nature and dynamics of LH using genetically encoded ratiometric fluorescent heme sensors in the unicellular eukaryote Saccharomyces cerevisiae We find that the subcellular distribution of LH is heterogeneous; the cytosol maintains LH at ∼20-40 nM, whereas the mitochondria and nucleus maintain it at concentrations below 2...
July 5, 2016: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/27207023/risk-management-model-of-winter-navigation-operations
#20
Osiris A Valdez Banda, Floris Goerlandt, Vladimir Kuzmin, Pentti Kujala, Jakub Montewka
The wintertime maritime traffic operations in the Gulf of Finland are managed through the Finnish-Swedish Winter Navigation System. This establishes the requirements and limitations for the vessels navigating when ice covers this area. During winter navigation in the Gulf of Finland, the largest risk stems from accidental ship collisions which may also trigger oil spills. In this article, a model for managing the risk of winter navigation operations is presented. The model analyses the probability of oil spills derived from collisions involving oil tanker vessels and other vessel types...
July 15, 2016: Marine Pollution Bulletin
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