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https://www.readbyqxmd.com/read/28441481/best-practices-of-computer-aided-drug-discovery-cadd-lessons-learned-from-the-development-of-a-preclinical-candidate-for-prostate-cancer-with-a-new-mechanism-of-action
#1
Fuqiang Ban, Kush Dalal, Huifang Li, Eric LeBlanc, Paul S Rennie, Artem Cherkasov
Small-molecule drug design is a complex and iterative decision-making process relying on pre-existing knowledge and driven by experimental data. Low molecular weight chemicals represent an attractive therapeutic option as they are readily accessible to organic synthesis and can easily be characterized.1 Their potency, as well as pharmacokinetic and pharmacodynamic properties can be systematically and rationally investigated, and ultimately optimized via expert science behind medicinal chemistry and methods of computer-aided drug design (CADD)...
April 25, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28439123/in-vivo-molecular-optical-coherence-tomography-of-lymphatic-vessel-endothelial-hyaluronan-receptors
#2
Peng Si, Debasish Sen, Rebecca Dutta, Siavash Yousefi, Roopa Dalal, Yonatan Winetraub, Orly Liba, Adam de la Zerda
Optical Coherence Tomography (OCT) imaging of living subjects offers increased depth of penetration while maintaining high spatial resolution when compared to other optical microscopy techniques. However, since most protein biomarkers do not exhibit inherent contrast detectable by OCT, exogenous contrast agents must be employed for imaging specific cellular biomarkers of interest. While a number of OCT contrast agents have been previously studied, demonstrations of molecular targeting with such agents in live animals have been historically challenging and notably limited in success...
April 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28427017/aromatase-inhibitors-and-apoptotic-inducers-design-synthesis-anticancer-activity-and-molecular-modeling-studies-of-novel-phenothiazine-derivatives-carrying-sulfonamide-moiety-as-hybrid-molecules
#3
Mostafa M Ghorab, Mansour S Alsaid, Nermin Samir, Ghada A Abdel-Latif, Aiten M Soliman, Fatma A Ragab, Dalal A Abou El Ella
Hybrid molecules are used as anticancer agents to improve effectiveness and diminish drug resistance. So, the current study aimed to introduce twenty novel phenothiazine sulfonamide hybrids 5-22, 24 and 25 of promising anticancer activity. Compounds 11 and 13 revealed more potent anticancer properties (IC50 8.1 and 8.8 μM) than that of the reference drug (doxorubicin, IC50 = 9.8 μM) against human breast cancer cell line (T47D). To determine the mechanism of their anticancer activity, compounds 5, 6, 7, 11, 13, 14, 16, 17, 19 and 22 that showed promising activity on T47D, were evaluated for their aromatase inhibitory effect...
April 15, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28422194/field-induced-anomalous-spreading-oscillation-ejection-spinning-and-breaking-of-oil-droplets-on-a-strongly-slipping-water-surface
#4
Sunny Kumar, Bhaskarjyoti Sarma, Ahsok Kumar Dasmahapatra, Amaresh Dalal, Dipankar Narayan Basu, Dipankar Bandyopadhyay
Application of an electric field on an oil droplet floating on the surface of a deionized water bath showed interesting motions such as spreading, oscillation, and ejection. The electric field was generated by connecting a pointed platinum cathode at the top of the oil droplet and a copper anode coated with polymer at the bottom of the water layer. The experimental setup mimicked a conventional electrowetting setup with the exception that the oil was spread on a soft and deformable water isolator. While at relatively lower field intensities we observed spreading of the droplet, at intermediate field intensities the droplet oscillated around the platinum cathode, before ejecting out at a speed as high as ∼5 body lengths per second at even stronger field intensities...
April 19, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28421721/fnac-aided-diagnosis-of-clear-cell-sarcoma-of-kidney-report-of-two-cases-in-infants
#5
Indranil Das, Ram Narayan Das, Bibhas Saha Dalal, Janki Bisht, Banhishikha Kanjilal, Uttara Chatterjee
Clear cell sarcoma of kidney (CCSK) is a rare aggressive malignant renal neoplasm with a high metastatic potential. Its outcome has however, improved with the advent of doxorubicin based neoadjuvant chemotherapy. Here, we present two cases of CCSK in infants diagnosed on cytology followed by nephrectomy. The first case presented in the neonatal period and had the unusual histological finding of islands of cartilage. The second case presented at the age of eight months. The possibility of CCSK should, therefore, be considered in the differential diagnoses of renal masses in infants as well as neonates...
April 19, 2017: Diagnostic Cytopathology
https://www.readbyqxmd.com/read/28417295/drug-induced-pulmonary-arterial-hypertension-a-review
#6
REVIEW
Lohit Garg, Ghulam Akbar, Sahil Agrawal, Manyoo Agarwal, Leila Khaddour, Rishin Handa, Aakash Garg, Mahek Shah, Brijesh Patel, Bhavinkumar D Dalal
Pulmonary arterial hypertension (PAH) is a subgroup of PH patients characterized hemodynamically by the presence of pre-capillary PH, defined by a pulmonary artery wedge pressure (PAWP) ≤15 mmHg and a PVR >3 Wood units (WU) in the absence of other causes of pre-capillary PH. According to the current classification, PAH can be associated with exposure to certain drugs or toxins such as anorectic agents, amphetamines, or selective serotonin reuptake inhibitors. With the improvement in awareness and recognition of the drug-induced PAH, it allowed the identification of additional drugs associated with an increased risk for the development of PAH...
April 18, 2017: Heart Failure Reviews
https://www.readbyqxmd.com/read/28415194/migration-of-a-droplet-in-a-cylindrical-tube-in-the-creeping-flow-regime
#7
Binita Nath, Gautam Biswas, Amaresh Dalal, Kirti Chandra Sahu
The migration of a neutrally buoyant droplet in a tube containing another immiscible liquid is investigated numerically in the creeping flow regime. A fully developed velocity profile is imposed at the inlet of the tube. The interface between the two immiscible fluids is captured using a coupled level-set and volume-of-fluid approach. The deformation and breakup dynamics of the droplet are investigated in terms of three dimensionless parameters, namely, the ratio between the radius of the undeformed droplet and the radius of the capillary tube, the viscosity ratio between the dispersed and the continuous phases, and the capillary number that measures the relative importance of the viscous force over the surface tension force...
March 2017: Physical Review. E
https://www.readbyqxmd.com/read/28412741/opposite-effects-of-gcn5-and-pcaf-knockdowns-on-the-alternative-mechanism-of-telomere-maintenance
#8
Maya Jeitany, Dalal Bakhos-Douaihy, David C Silvestre, Jose R Pineda, Nicolas Ugolin, Angela Moussa, Laurent R Gauthier, Didier Busso, Marie-Pierre Junier, Hervé Chneiweiss, Sylvie Chevillard, Chantal Desmaze, François D Boussin
Cancer cells can use a telomerase-independent mechanism, known as alternative lengthening of telomeres (ALT), to elongate their telomeres. General control non-derepressible 5 (GCN5) and P300/CBP-associated factor (PCAF) are two homologous acetyltransferases that are mutually exclusive subunits in SAGA-like complexes. Here, we reveal that down regulation of GCN5 and PCAF had differential effects on some phenotypic characteristics of ALT cells. Our results suggest that GCN5 is present at telomeres and opposes telomere recombination, in contrast to PCAF that may indirectly favour them in ALT cells...
February 17, 2017: Oncotarget
https://www.readbyqxmd.com/read/28406806/improved-hiv-and-tb-knowledge-and-competence-among-mid-level-providers-in-a-cluster-randomized-trial-of-one-on-one-mentorship-for-task-shifting
#9
Sarah Naikoba, Kaggwa Dan Senjovu, Pallen Mugabe, Carey McCarthy, Patricia L Riley, Damazo Trevor Kadengye, Shona Dalal
INTRODUCTION: Health worker shortages pose a challenge to the scale-up of HIV care and treatment in Uganda. Training mid-level providers (MLP) in the provision of HIV and TB treatment can expand existing health workforce capacity and access to HIV services. METHODS: We conducted a cluster-randomized trial of, on-site clinical mentorship for HIV and TB care at 10 health facilities in rural Uganda. Twenty MLP and were randomly assigned to an intervention of eight hours a week of one on one mentorship, every six weeks over a nine month period; and another twenty to the control of no clinical mentorship...
April 12, 2017: Journal of Acquired Immune Deficiency Syndromes: JAIDS
https://www.readbyqxmd.com/read/28405961/treatment-patterns-and-early-outcomes-of-alk-positive-non-small-cell-lung-cancer-patients-receiving-ceritinib-a-chart-review-study
#10
Edmond Bendaly, Anand A Dalal, Kenneth Culver, Philip Galebach, Iryna Bocharova, Rebekah Foster, Medha Sasane, Alexander R Macalalad, Annie Guérin
INTRODUCTION: This study aimed to provide the first real-world description of the characteristics, treatments, dosing patterns, and early outcomes of patients with ALK-positive non-small cell lung cancer (NSCLC) who received ceritinib in US clinical practice. METHODS: US oncologists provided data from medical charts of adult patients diagnosed with locally advanced or metastatic ALK-positive NSCLC who received ceritinib following crizotinib. Patient characteristics, treatment patterns, ceritinib dosing, early outcomes, and occurrence of gastrointestinal adverse events (AEs) by dose and instructions on food intake were assessed, and Kaplan-Meier analysis was used to describe clinician-defined progression-free survival (PFS) on ceritinib...
April 12, 2017: Advances in Therapy
https://www.readbyqxmd.com/read/28403696/congenital-transmesenteric-strangulated-hernia-in-a-neonate-a-case-report
#11
Kamal Nain Rattan, Jasbir Singh, Poonam Dalal
No abstract text is available yet for this article.
January 1, 2017: Tropical Doctor
https://www.readbyqxmd.com/read/28396698/internal-modifications-in-the-cenp-a-nucleosome-modulate-centromeric-dynamics
#12
Minh Bui, Mary Pitman, Arthur Nuccio, Serene Roque, Paul Gregory Donlin-Asp, Aleksandra Nita-Lazar, Garegin A Papoian, Yamini Dalal
BACKGROUND: Posttranslational modifications of core histones are correlated with changes in transcriptional status, chromatin fiber folding, and nucleosome dynamics. However, within the centromere-specific histone H3 variant CENP-A, few modifications have been reported, and their functions remain largely unexplored. In this multidisciplinary report, we utilize in silico computational and in vivo approaches to dissect lysine 124 of human CENP-A, which was previously reported to be acetylated in advance of replication...
2017: Epigenetics & Chromatin
https://www.readbyqxmd.com/read/28373392/deafferented-adult-rod-bipolar-cells-create-new-synapses-with-photoreceptors-to-restore-vision
#13
Corinne Beier, Anahit Hovhannisyan, Sydney Weiser, Jennifer Kung, Seungjun Lee, Dae Yeong Lee, Philip Huie, Roopa Dalal, Daniel Palanker, Alexander Sher
Upon degeneration of photoreceptors in the adult retina, interneurons, including bipolar cells, exhibit a plastic response leading to their aberrant rewiring. Photoreceptor reintroduction has been suggested as a potential approach to sight restoration, but the ability of deafferented bipolar cells to establish functional synapses with photoreceptors is poorly understood. Here we use photocoagulation to selectively destroy photoreceptors in adult rabbits, while preserving the inner retina. We find that rods and cones shift into the ablation zone over several weeks, reducing the blind spot at scotopic and photopic luminances...
April 3, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/28367032/papillary-carcinoma-thyroid-with-anastomosing-channels-an-unusual-morphology
#14
Varsha Dalal, Manveen Kaur, Anju Bansal
Papillary thyroid carcinoma (PTC) is the most common thyroid malignancy, accounting for 70%-80% of all thyroid malignancies. It is biologically indolent and has an excellent prognosis. Variations in histopathologic patterns are known to influence prognosis and often result in a diagnostic dilemma. We report an unusual case of a 35-year-old female with papillary carcinoma of a thyroid isthmus showing anastomosing channels on histopathology, a distinctive pattern that has not been described in PTC. Similar to tumor cells, the lining cells of these channels were also positive for thyroid transcription factor 1, thyroglobulin, and cytokeratin-19 and negative for CD34 and CD31...
April 2017: Journal of Laboratory Physicians
https://www.readbyqxmd.com/read/28363835/functional-dynamics-of-hippocampal-glutamate-during-associative-learning-assessed-with-in-vivo-1-h-functional-magnetic-resonance-spectroscopy
#15
Jeffrey A Stanley, Ashley Burgess, Dalal Khatib, Karthik Ramaseshan, Muzamil Arshad, Helen Wu, Vaibhav A Diwadkar
fMRI has provided vibrant characterization of regional and network responses associated with associative learning and memory; however, their relationship to functional neurochemistry is unclear. Here, we introduce a novel application of in vivo proton functional magnetic resonance spectroscopy ((1)H fMRS) to investigate the dynamics of hippocampal glutamate during paired-associated learning and memory in healthy young adults. We show that the temporal dynamics of glutamate differed significantly during processes of memory consolidation and retrieval...
March 29, 2017: NeuroImage
https://www.readbyqxmd.com/read/28358972/nurse-patient-and-care-partner-perceptions-of-a-personalized-safety-plan-screensaver
#16
Megan Duckworth, Emily Leung, Theresa Fuller, Jenzel Espares, Brittany Couture, Frank Chang, Alexandra C Businger, Sarah Collins, Anuj Dalal, Anne Fladger, Jeffrey L Schnipper, Kumiko O Schnock, David W Bates, Patricia C Dykes
A patient safety plan dashboard was developed that captures disparate data from the electronic health record that is then displayed as a personalized bedside screensaver. The dashboard aligns all care team members, including patients and families, in the safety plan. The screensaver content includes icons that pertain to common geriatric syndromes. In two phases, interviews were conducted with nurses, nursing assistants, patients, and informal caregivers in a large, tertiary care center. End user perceptions of the content and interface of the personalized safety plan screensavers were identified and strategies to overcome the barriers to use for future iterations were defined...
April 1, 2017: Journal of Gerontological Nursing
https://www.readbyqxmd.com/read/28352011/biopsy-of-small-kidneys-a-safe-and-a-useful-guide-to-potentially-treatable-kidney-disease
#17
Kamel El-Reshaid, Wael El-Reshaid, Dalal Al-Bader, Jozsef Varro, John Madda, Hosameldin Tawfik Sallam
Over the past four years, all patients with unexplained rapid progression of their renal disease were subjected to kidney biopsy, despite their small size (<9 cm), to define its etiology. Children, pregnant women, morbidly obese patients, and those with an unstable cardiovascular state, septicemia, bleeding diathesis as well as those kidney size with size <6 cm were excluded from the study. Doppler ultrasound was used to exclude renovascular/ischemic nephropathy. The procedure was performed by an interventional radiologist using a biopsy gun technique and under ultrasound guidance...
March 2017: Saudi Journal of Kidney Diseases and Transplantation
https://www.readbyqxmd.com/read/28334537/multivalency-effect-of-tat-peptide-functionalized-nanoparticle-in-cellular-endocytosis-and-subcellular-trafficking
#18
Chumki Dalal, Nikhil R Jana
Although trans-activating transcription (TAT) peptide-functionalized nanoparticle/polymer/liposome is widely used for cellular transfection applications, the multivalency (number of attached peptide per particle) effect on cell uptake mechanism and subcellular targeting performance is largely unexplored. Here we show that multivalency of nanoparticle controls the cellular interaction, cellular entry/exit mechanism, and subcellular targeting performance. We have synthesized TAT-peptide functionalized quantum dot (QD) of 30-35 nm hydrodynamic diameter with varied multivalency from 10 to 75 (e...
March 31, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28330751/reduction-in-heart-failure-hospitalizations-with-ambulatory-hemodynamic-monitoring-seen-in-clinical-trials-is-maintained-in-the-real-world
#19
Akshay S Desai, Arvind Bhimaraj, Rupinder Bharmi, Rita Jermyn, Kunjan Bhatt, David Shavelle, Margaret M Redfield, Robert Hull, Jamie A Pelzel, Kevin Davis, Nirav Dalal, Philip B Adamson, J Thomas Heywood
BACKGROUND: In the CHAMPION trial, heart failure hospitalization (HFH) rates were lower in patients managed with guidance from an implantable pulmonary artery pressure (PAP) sensor compared to usual care. OBJECTIVES: To examine the effectiveness of ambulatory hemodynamic monitoring in reducing HFH outside the clinical trial setting. METHODS: We conducted a retrospective cohort study using US Medicare claims data from patients undergoing PAP sensor implantation between 6/1/2014 and 12/31/2015...
March 9, 2017: Journal of the American College of Cardiology
https://www.readbyqxmd.com/read/28318051/atopic-dermatitis-in-israeli-adolescents-from-1998-to-2013-trends-in-time-and-association-with-migraine
#20
Rony Shreberk-Hassidim, Ayal Hassidim, Yoav Gronovich, Adam Dalal, Vered Molho-Pessach, Abraham Zlotogorski
BACKGROUND: Recent data have shown an increasing occurrence of atopic dermatitis (AD) in children and adolescents, as well as in adults. Most of the epidemiologic research on AD is limited to pediatric and youth populations and is based on self-reported questionnaires. METHODS: A nationwide, population-based, cross-sectional retrospective study of adolescents with AD was performed to estimate its prevalence, trends, and association with demographic factors and comorbidities...
March 20, 2017: Pediatric Dermatology
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