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https://www.readbyqxmd.com/read/29352646/synthesis-and-biological-evaluation-of-anti-cancer-agents-that-selectively-inhibit-her2-over-expressed-breast-cancer-cell-growth-via-down-regulation-of-her2-protein
#1
Anran Zhao, Qiaoyun Zheng, Cody M Orahoske, Nethrie D Idippily, Morgan M Ashcraft, Aicha Quamine, Bin Su
Compound JCC76 selectively inhibited the proliferation of human epidermal growth factor 2 (Her2) over-expressed breast cancer cells. In the current study, a ligand based structural optimization was performed to generate new analogs, and we identified derivatives 16 and 17 that showed improved activity and selectivity against Her2 positive breast cancer cells. A structure activity relationship (SAR) was summarized. Compounds 16 and 17 were also examined by western blot assay to check their effect on Her2 protein...
January 12, 2018: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29352627/indications-and-limits-of-stereoelectroencephalography-seeg
#2
REVIEW
Lorella Minotti, Alexandra Montavont, Julia Scholly, Louise Tyvaert, Delphine Taussig
Epilepsy surgery is now an accepted treatment to achieve seizure control in carefully selected patients, both children and adults, suffering from drug-resistant focal epilepsy. Although surgical strategies can often be defined on the basis of non-invasive diagnostic procedures, and despite the recent advances in this field, an increasing number of more complex cases requires invasive EEG (iEEG) to provide precise information on the localization of the epileptogenic zone (EZ), its relationships with eloquent cortex (EC), and the feasibility of a tailored surgical resection...
January 15, 2018: Neurophysiologie Clinique, Clinical Neurophysiology
https://www.readbyqxmd.com/read/29351733/glutamate-synthases-from-conifers-gene-structure-and-phylogenetic-studies
#3
Ángel García-Gutiérrez, Francisco M Cánovas, Concepción Ávila
BACKGROUND: Plants synthesize glutamate from ammonium by the combined activity of the enzymes glutamine synthetase (GS) and glutamate synthase (GOGAT) through the glutamate synthase cycle. In plants, there are two forms of glutamate synthases that differ in their electron donors, NADH-GOGAT (EC 1.4.1.14) and Fd-GOGAT (EC 1.4.7.1), which have differential roles either in primary ammonia assimilation or in the reassimilation of ammonium from different catabolic processes. Glutamate synthases are complex iron-sulfur flavoproteins containing functional domains involved in the control and coordination of their catalytic activities in annual plants...
January 19, 2018: BMC Genomics
https://www.readbyqxmd.com/read/29351497/screen-targeting-lung-and-prostate-cancer-oncogene-identifies-novel-inhibitors-of-rgs17-and-problematic-chemical-substructures
#4
Christopher R Bodle, Josephine H Schamp, Joseph B O'Brien, Michael P Hayes, Meng Wu, Jonathan A Doorn, David L Roman
Regulator of G protein signaling (RGS) proteins temporally regulate heterotrimeric G protein signaling cascades elicited by G protein-coupled receptor activation and thus are essential for cell homeostasis. The dysregulation of RGS protein expression has been linked to several pathologies, spurring discovery efforts to identify small-molecule inhibitors of these proteins. Presented here are the results of a high-throughput screening (HTS) campaign targeting RGS17, an RGS protein reported to be inappropriately upregulated in several cancers...
January 1, 2018: SLAS Discovery
https://www.readbyqxmd.com/read/29351005/an-integrated-operational-definition-and-conceptual-model-of-asthma-self-management-in-teens
#5
Jennifer Mammen, Hyekyun Rhee, Sally A Norton, Arlene M Butz, Jill S Halterman, Kimberly Arcoleo
OBJECTIVES: A previous definition of adolescent asthma self-management was derived from interviews with clinicians/researchers and published literature; however, it did not incorporate perspectives of teens or parents. Therefore, we conducted in-depth interviews with teens and parents and synthesized present findings with the prior analysis to develop a more encompassing definition and model. METHODS: Focal concepts were qualitatively extracted from 14-day self-management voice-diaries (n = 14) and 1-hour interviews (n = 42) with teens and parents (28 individuals) along with concepts found in the previous clinical/research oriented analysis...
January 19, 2018: Journal of Asthma: Official Journal of the Association for the Care of Asthma
https://www.readbyqxmd.com/read/29350787/fathers-experiences-with-their-preterm-babies-admitted-to-neonatal-intensive-care-unit-a-multi-method-study
#6
Alberto Stefana, Ezio Maria Padovani, Paolo Biban, Manuela Lavelli
AIM: The aim of this study was to investigate fathers' emotional experiences of their infant's preterm birth and subsequent stay in neonatal intensive care unit. BACKGROUND: When a baby is born preterm, there is also the premature interruption of the process of preparation for fatherhood. As a result, the impact on fathers of the preterm birth can bring negative consequences for the development of father-infant relationship. DESIGN: A multi-method approach was used which included ethnographic observation, semi-structured interviews with fathers, a self-report questionnaire and clinical information between September 2015-March 2017...
January 19, 2018: Journal of Advanced Nursing
https://www.readbyqxmd.com/read/29350534/discovery-of-tetrahydroisoquinoline-containing-cxcr4-antagonists-with-improved-in-vitro-admet-properties
#7
Eric J Miller, Edgars Jecs, Valarie M Truax, Brooke M Katzman, Yesim A Tahirovic, Robert J Wilson, Katie M Kuo, Michelle B Kim, Huy H Nguyen, Manohar T Saindane, Huanyu Zhao, Tao Wang, Chi S Sum, Mary Ellen Cvijic, Gretchen M Schroeder, Lawrence J Wilson, Dennis C Liotta
CXCR4 is a 7-transmembrane receptor expressed by hematopoietic stem cells and progeny, as well as by ≥ 48 different cancers types. CXCL12, the only chemokine ligand of CXCR4, is secreted within the tumor microenvironment, providing sanctuary for CXCR4+ tumor cells from immune surveillance and chemotherapeutic elimination by 1) stimulating pro-survival signaling and 2) recruiting CXCR4+ immunosuppressive leukocytes. Additionally, distant CXCL12-rich niches attract and support CXCR4+ metastatic growths. Accordingly, CXCR4 antagonists can potentially obstruct CXCR4-mediated pro-survival signaling, recondition the CXCR4+ leukocyte infiltrate from immunosuppressive to immunoreactive, and inhibit CXCR4+ cancer cell metastasis...
January 19, 2018: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29349649/structure-activity-relationships-of-flavanones-flavanone-glycosides-and-flavones-in-anti-degranulation-activity-in-rat-basophilic-leukemia-rbl-2h3-cells
#8
Toshiro Noshita, Kaori Miura, Kaoru Ikeda, Hidekazu Ouchi, Takuya Matsumoto, Akihiro Tai
The incidence of type I allergies, which are associated with mast cell degranulation and local inflammation, is increasing, and new treatments are needed. To date, structure-activity relationships of flavonoids in their degranulation-inhibiting activity have not been systematically characterized. In the current study, the degranulation-inhibiting activity of a series of flavonoids was evaluated. The following three observations were made: (1) the activity disappears when a sugar moiety is introduced into the A ring of the flavanone; (2) the activity depends on the number of hydroxyl groups on the B ring; (3) the activity is markedly enhanced when a double bond is introduced into the C ring...
January 18, 2018: Journal of Natural Medicines
https://www.readbyqxmd.com/read/29349445/discovery-of-novel-diarylpyrimidines-as-potent-hiv-1-nnrtis-by-investigating-the-chemical-space-of-a-less-explored-hydrophobic-channel
#9
Zhongxia Zhou, Tao Liu, Dongwei Kang, Zhipeng Huo, Gaochan Wu, Dirk Daelemans, Erik De Clercq, Christophe Pannecouque, Peng Zhan, Xinyong Liu
A new series of diarylpyrimidines (DAPYs) were designed, synthesized and evaluated as novel HIV-1 NNRTIs to further explore the chemical space surrounding the "hydrophobic channel" of the NNRTI binding pocket (NNIBP), guided by the comprehensive analysis of X-ray structural biology data of HIV-1 RT/NNRTI complexes and molecular modeling. Encouragingly, most of the synthesized DAPYs were found to be active against the HIV-1 wild-type (WT) strain with EC50 values ranging from 3 nM to 63 nM, and displayed significantly reduced cytotoxicity compared with etravirine (ETV) and rilpivirine (RPV)...
January 19, 2018: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/29349223/social-participation-and-self-rated-psychological-health-a-longitudinal-study-on-bhps
#10
Damiano Fiorillo, Giuseppe Lubrano Lavadera, Nunzia Nappo
Although social capital has been hypothesized to have positive influence on psychological health, a relationship between social capital dimensions and psychological wellbeing has rarely been found. This longitudinal study investigates the relationship between social participation in associations and self-rated psychological health. The paper uses five waves of the British Household Panel Survey (BHPS) from 1991 to 1995 (unbalanced panel N=45,761). Ordered logit fixed effect methods were used to study the longitudinal link between structural social capital (being a member, active, and both a member and active in associations) and self-rated psychological health assessed by single items of the General Health Questionnaire (GHQ-12) controlling for age, marital status, household size, number of children, education, income, economic status, number of visits to the GP and health problems...
December 2017: SSM—Population Health
https://www.readbyqxmd.com/read/29348813/synthesis-and-structure-activity-relationship-study-of-biliatresone-a-plant-isoflavonoid-that-causes-biliary-atresia
#11
Michelle A Estrada, Xiao Zhao, Kristin Lorent, Alyssa Kriegermeier, Seika A Nagao, Simon Berritt, Rebecca G Wells, Michael Pack, Jeffrey D Winkler
We report the first synthesis of the plant isoflavonoid biliatresone. The convergent synthesis has been applied to the synthesis of several analogs, which have facilitated the first structure-activity relationship study for this environmental toxin that, on ingestion, recapitulates the phenotype of biliary atresia.
January 11, 2018: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29348049/cui-and-cuii-complexes-with-phosphine-derivatives-of-fluoroquinolone-antibiotics-a-comparative-study-on-the-cytotoxic-mode-of-action
#12
Aleksandra Bykowska, Urszula K Komarnicka, Małgorzata Jeżowska-Bojczuk, Agnieszka Kyzioł
In this paper, we present a comparative study on the cytotoxic mode of action of copper(I) and copper(II) complexes with phosphine derivatives of fluoroquinolone antibiotics (ciprofloxacin HCp and norfloxacin HNr). The in vitro cytotoxic activity of four new compounds was tested against two selected cancer cell lines. All complexes exhibited much better cytotoxicity against both cell lines than unmodified fluoroquinolone antibiotics, their phosphines (PCp, PNr), chalcogenide derivatives (oxides: OPCp, OPNr; sulfides: SPCp, SPNr and selenides: SePCp, SePNr) and previously described by us complexes with phosphines derived from different fluoroquinolones: lomefloxacin (HLm) and sparfloxacin (HSf) as well as cisplatin...
January 9, 2018: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/29347843/combinatorial-design-and-virtual-screening-of-potent-anti-tubercular-fluoroquinolone-and-isothiazoloquinolone-compounds-utilizing-qsar-and-pharmacophore-modelling
#13
S Nandi, S Ahmed, A K Saxena
The virulence of tuberculosis infections resistant to conventional combination drug regimens cries for the design of potent fluoroquinolone compounds to be used as second line antimycobacterial chemotherapeutics. One of the most effective in silico methods is combinatorial design and high throughput screening by a ligand-based pharmacophore prior to experiment. The combinatorial design of a series of 3850 fluoroquinolone and isothiazoloquinolone compounds was then screened virtually by applying a topological descriptor based quantitative structure activity relationship (QSAR) for predicting highly active congeneric quinolone leads against Mycobacterium fortuitum and Mycobacterium smegmatis...
February 2018: SAR and QSAR in Environmental Research
https://www.readbyqxmd.com/read/29346804/trabodenoson-an-adenosine-mimetic-with-a1-receptor-selectivity-lowers-intraocular-pressure-by-increasing-conventional-outflow-facility-in-mice
#14
Guorong Li, Karen Y Torrejon, Andrea M Unser, Feryan Ahmed, Iris D Navarro, Rudolf A Baumgartner, David S Albers, W Daniel Stamer
Purpose: To evaluate the relationship between the IOP-lowering effect of trabodenoson and the associated structural and functional changes in the trabecular meshwork (TM). Methods: Six independent cohorts of young and aged mice were exposed to three different topical once-a-day formulations of trabodenoson and eyes were compared to those treated with placebo drops. IOP was measured daily just before drug administration using rebound tonometry. Outflow facility was measured in enucleated eyes...
January 1, 2018: Investigative Ophthalmology & Visual Science
https://www.readbyqxmd.com/read/29346733/synthesis-and-structure-activity-relationship-sar-studies-of-novel-pyrazolopyridine-derivatives-as-inhibitors-of-enterovirus-replication
#15
Yanpeng Xing, Jun Zuo, Paul Krogstad, Michael E Jung
A series of novel pyrazolopyridine compounds have been designed and prepared by a general synthetic route. Their activities against the replication of poliovirus-1, EV-A71, and CV-B3 enteroviruses were evaluated. The comprehensive understanding of the Structure-Activity Relationship was obtained by utilizing the variation of four positions, namely N1, C6, C4 and linker unit. From the screened analogues, the inhibitors with the highest selectivity indices at 50% inhibition of viral replication (SI50) were those with isopropyl at the N1 position and thiophenyl-2-yl unit at C6 position...
January 18, 2018: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29346732/microscopic-theory-of-coupled-slow-activated-dynamics-in-glass-forming-binary-mixtures
#16
Rui Zhang, Kenneth S Schweizer
The Elastically Collective Nonlinear Langevin Equation theory for one-component viscous liquids and suspensions is generalized to treat coupled slow activated relaxation and diffusion in glass-forming binary sphere mixtures of any composition, size ratio and inter-particle interactions. A trajectory-level dynamical coupling parameter concept is introduced to construct two coupled dynamic free energy functions for the smaller penetrant and larger matrix particle. A two-step dynamical picture is proposed where the first step process involves matrix-facilitated penetrant hopping quantified in a self-consistent manner based on a temporal coincidence condition...
January 18, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29346314/sustainable-transportation-attitudes-and-health-behavior-change-evaluation-of-a-brief-stage-targeted-video-intervention
#17
Norbert Mundorf, Colleen A Redding, Andrea L Paiva
Promoting physical activity and sustainable transportation is essential in the face of rising health care costs, obesity rates, and other public health threats resulting from lack of physical activity. Targeted communications can encourage distinct population segments to adopt active and sustainable transportation modes. Our work is designed to promote the health, social, and environmental benefits of sustainable/active transportation (ST) using the Transtheoretical Model of Change (TTM), which has been successfully applied to a range of health, and more recently, sustainability behaviors...
January 18, 2018: International Journal of Environmental Research and Public Health
https://www.readbyqxmd.com/read/29346080/new-insight-into-the-action-of-tryptanthrins-against-plasmodium-falciparum-pharmacophore-identification-via-a-novel-submolecular-qsar-descriptor
#18
Joel A Olson, Raymond J Terryn, Elizabeth L Stewart, J Clayton Baum, Mark J Novak
A new submolecular quantitative structure activity relationship (QSAR) descriptor was applied toward elucidating the anti-malarial pharmacophore of tryptanthrins, a class of compounds known for their anti-parasitic activities. The new descriptor is based on experimental and computational measurements of the tunneling barriers of individual lobes of the molecular orbitals. Lobe-by-lobe QSAR correlation plots revealed a single lobe of the LUMO to be strongly associated with tryptanthrin's anti-malarial activity...
December 27, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29345571/targeting-cytosolic-phospholipase-a2%C3%AE-for-novel-anti-inflammatory-agents
#19
Jalal Soubhye, Pierre van Antwerpen, Francois Dufrasne
Group IV cytosolic phospholipase A2 (cPLA2α) plays a critical role in inflammatory processes. It produces arachidonic acid which is the main source of the pro-inflammatory eicosanoids mediators that are important in innate immune system. In some cases, these pro-inflammatory mediators cause damages to the host tissues and therefore promote autoimmune diseases. Consequently, development of potent inhibitors against cPLA2α could improve the therapy of inflammatory diseases. In the last two decades, intense efforts have been done to find potent cPLA2α inhibitors...
January 16, 2018: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/29345474/total-synthesis-of-antiproliferative-parvifloron-f
#20
Yohei Saito, Masuo Goto, Kyoko Nakagawa-Goto
The first total synthesis of parvifloron F, a bioactive highly oxidized abietane diterpene, was achieved. The abietane skeleton was constructed by Lewis acid promoted cyclization. Preliminary structure-activity relationship correlations were established for the synthetic intermediates against human tumor cell lines. Certain compounds showed unique selective antiproliferative activity against triple-negative breast cancer. The oxidation level of the abietane ring affected the selectivity.
January 18, 2018: Organic Letters
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