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https://www.readbyqxmd.com/read/29055187/an-effective-hiv-1-integrase-inhibitor-screening-platform-rationality-validation-of-drug-screening-conformational-mobility-and-molecular-recognition-analysis-for-pfv-integrase-complex-with-viral-dna
#1
Wenyi Du, Ke Zuo, Xin Sun, Wei Liu, Xiao Yan, Li Liang, Hua Wan, Fengzheng Chen, Jianping Hu
As an important target for the development of novel anti-AIDS drugs, HIV-1 integrase (IN) has been widely concerned. However, the lack of a complete accurate crystal structure of HIV-1 IN greatly blocks the discovery of novel inhibitors. In this work, an effective HIV-1 IN inhibitor screening platform, namely PFV IN, was filtered from all species of INs. Next, the 40.8% similarity with HIV-1 IN, as well as the high efficiency of virtual screening and the good agreement between calculated binding free energies and experimental ones all proved PFV IN is a promising screening platform for HIV-1 IN inhibitors...
October 5, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29055040/the-concise-guide-to-pharmacology-2017-18-g-protein-coupled-receptors
#2
Stephen Ph Alexander, Arthur Christopoulos, Anthony P Davenport, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055039/the-concise-guide-to-pharmacology-2017-18-other-ion-channels
#3
Stephen Ph Alexander, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055038/the-concise-guide-to-pharmacology-2017-18-ligand-gated-ion-channels
#4
Stephen Ph Alexander, John A Peters, Eamonn Kelly, Neil V Marrion, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055037/the-concise-guide-to-pharmacology-2017-18-overview
#5
Stephen Ph Alexander, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, O Peter Buneman, John A Cidlowski, Arthur Christopoulos, Anthony P Davenport, Doriano Fabbro, Michael Spedding, Jörg Striessnig, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 is the third in this series of biennial publications. This version provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055036/the-concise-guide-to-pharmacology-2017-18-catalytic-receptors
#6
Stephen Ph Alexander, Doriano Fabbro, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055035/the-concise-guide-to-pharmacology-2017-18-transporters
#7
Stephen Ph Alexander, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055034/the-concise-guide-to-pharmacology-2017-18-enzymes
#8
Stephen Ph Alexander, Doriano Fabbro, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055033/the-concise-guide-to-pharmacology-2017-18-voltage-gated-ion-channels
#9
Stephen Ph Alexander, Jörg Striessnig, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29055032/the-concise-guide-to-pharmacology-2017-18-nuclear-hormone-receptors
#10
Stephen Ph Alexander, John A Cidlowski, Eamonn Kelly, Neil V Marrion, John A Peters, Elena Faccenda, Simon D Harding, Adam J Pawson, Joanna L Sharman, Christopher Southan, Jamie A Davies
The Concise Guide to PHARMACOLOGY 2017/18 provides concise overviews of the key properties of nearly 1800 human drug targets with an emphasis on selective pharmacology (where available), plus links to an open access knowledgebase of drug targets and their ligands (www.guidetopharmacology.org), which provides more detailed views of target and ligand properties. Although the Concise Guide represents approximately 400 pages, the material presented is substantially reduced compared to information and links presented on the website...
December 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/29054669/impact-of-copper-sulfate-application-at-an-urban-brazilian-reservoir-a-geostatistical-and-ecotoxicological-approach
#11
P R Leal, V Moschini-Carlos, J C López-Doval, J P Cintra, J K Yamamoto, M D Bitencourt, R F Santos, G C Abreu, M L M Pompêo
A landscape ecotoxicology approach was used to assess the spatial distribution of copper in the recent bottom sediment (surficial sediment) of a Brazilian subtropical reservoir (the Guarapiranga reservoir) and its potential ecotoxicological impacts on the reservoir ecosystem and the local society. We discuss the policies and procedures that have been employed for the management of this reservoir over the past four decades. Spatial heterogeneity in the reservoir was evaluated by means of sampling design and statistical analysis based on kriging spatial interpolation...
October 17, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29054654/assessing-the-potential-impacts-of-a-revised-set-of-on-farm-nutrient-and-sediment-basic-control-measures-for-reducing-agricultural-diffuse-pollution-across-england
#12
A L Collins, J P Newell Price, Y Zhang, R Gooday, P S Naden, D Skirvin
The need for improved abatement of agricultural diffuse water pollution represents cause for concern throughout the world. A critical aspect in the design of on-farm intervention programmes concerns the potential technical cost-effectiveness of packages of control measures. The European Union (EU) Water Framework Directive (WFD) calls for Programmes of Measures (PoMs) to protect freshwater environments and these comprise 'basic' (mandatory) and 'supplementary' (incentivised) options. Recent work has used measure review, elicitation of stakeholder attitudes and a process-based modelling framework to identify a new alternative set of 'basic' agricultural sector control measures for nutrient and sediment abatement across England...
October 17, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29053677/building-double-decker-traps-for-early-detection-of-emerald-ash-borer
#13
Deborah G McCullough, Therese M Poland
Emerald ash borer (EAB) (Agrilus planipennis Fairmaire), the most destructive forest insect to have invaded North America, has killed hundreds of millions of forest and landscape ash (Fraxinus spp.) trees. Several artificial trap designs to attract and capture EAB beetles have been developed to detect, delineate, and monitor infestations. Double-decker (DD) traps consist of two corrugated plastic prisms, one green and one purple, attached to a 3 m tall polyvinyl chloride (PVC) pipe supported by a t-post. The green prism at the top of the PVC pipe is baited with cis-3-hexenol, a compound produced by ash foliage...
October 4, 2017: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/29051180/midostaurin-enasidenib-cpx-351-gemtuzumab-ozogomycin-and-venetoclax-bring-new-hope-to-aml
#14
Andrew H Wei, Ing S Tiong
In 2017, four new drugs have so far received FDA marketing approval for the treatment of acute myeloid leukemia (AML), including targeted therapies for mutant FLT3 (midostaurin) and IDH2 (enasidenib), a novel liposomal cytarabine-daunorubicin formulation (CPX-351) for therapy-related AML and AML with myelodysplasia-related changes and finally, resurgence of an antibody-drug conjugate designed to target CD33 (gemtuzumab ozogomycin; GO). Promising results also emerged for the BCL-2 inhibitor venetoclax combined with low-intensity therapy in older patients with AML unfit for intensive chemotherapy...
October 19, 2017: Blood
https://www.readbyqxmd.com/read/29048557/linkage-of-a-to-i-rna-editing-in-metazoans-and-the-impact-on-genome-evolution
#15
Yuange Duan, Shengqian Dou, Hong Zhang, Changcheng Wu, Mingming Wu, Jian Lu
The adenosine-to-inosine (A-to-I) RNA editomes have been systematically characterized in various metazoan species, and many editing sites were found in clusters. However, it remains unclear whether the clustered editing sites tend to be linked in the same RNA molecules or not. By adopting a method originally designed to detect linkage disequilibrium of DNA mutations, we examined the editomes of ten metazoan species and detected extensive linkage of editing in Drosophila and cephalopods. The prevalent linkages of editing in these two clades, many of which are conserved between closely related species and might be associated with the adaptive proteomic recoding, are maintained by natural selection at the cost of genome evolution...
October 18, 2017: Molecular Biology and Evolution
https://www.readbyqxmd.com/read/29045754/genomic-studies-of-local-adaptation-in-natural-plant-populations
#16
Victoria L Sork
Local adaptation arises as a result of selection by the local environment favoring phenotypes that enhance fitness. Geographic patterns of phenotypic variation are in part due to this selective process. Classically, the genetic basis of those phenotypes has been studied in plant populations using a quantitative genetic approach in which plants from different source populations are grown in common environments, in reciprocal transplant experiments, or in studies across a wide geographic and environmentally heterogeneous area...
October 14, 2017: Journal of Heredity
https://www.readbyqxmd.com/read/29045509/the-antibody-drug-conjugate-target-landscape-across-a-broad-range-of-tumour-types
#17
K L Moek, D J A de Groot, E G E de Vries, R S N Fehrmann
Background: Antibody-drug conjugates (ADCs), consisting of an antibody designed against a specific target at the cell membrane linked with a cytotoxic agent, are an emerging class of therapeutics. Since ADC tumour cell targets do not have to be drivers of tumour growth, ADCs are potentially relevant for a wide range of tumours currently lacking clear oncogenic drivers. Therefore, we aimed to define the landscape of ADC targets in a broad range of tumours. Materials and methods: PubMed and ClinicalTrials...
September 25, 2017: Annals of Oncology: Official Journal of the European Society for Medical Oncology
https://www.readbyqxmd.com/read/29043794/dynamic-transition-from-%C3%AE-helices-to-%C3%AE-sheets-in-polypeptide-coiled-coil-motifs
#18
Kirill A Minin, Artem Zhmurov, Kenneth A Marx, Prashant K Purohit, Valeri Barsegov
We carried out dynamic force manipulations in silico on a variety of coiled-coil protein fragments from myosin, chemotaxis receptor, vimentin, fibrin, and phenylalanine zippers that vary in size and topology of their α-helical packing. When stretched along the superhelical axis, all superhelices show elastic, plastic, and inelastic elongation regimes, and undergo a dynamic transition from the α-helices to the β-sheets, which marks the onset of plastic deformation. Using Abeyaratne-Knowles formulation of phase transitions, we developed a new theoretical methodology to model mechanical and kinetic properties of protein coiled-coils under mechanical non-equilibrium conditions and to map out their energy landscapes...
October 18, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29043019/effects-of-livestock-grazing-on-rangeland-biodiversity-a-meta-analysis-of-grouse-populations
#19
REVIEW
Seth J Dettenmaier, Terry A Messmer, Torre J Hovick, David K Dahlgren
Livestock grazing affects over 60% of the world's agricultural lands and can influence rangeland ecosystem services and the quantity and quality of wildlife habitat, resulting in changes in biodiversity. Concomitantly, livestock grazing has the potential to be detrimental to some wildlife species while benefiting other rangeland organisms. Many imperiled grouse species require rangeland landscapes that exhibit diverse vegetation structure and composition to complete their life cycle. However, because of declining populations and reduced distributions, grouse are increasingly becoming a worldwide conservation concern...
October 2017: Ecology and Evolution
https://www.readbyqxmd.com/read/29041842/identifying-novel-small-molecule-antagonists-for-mlst8-protein-using-computational-approaches
#20
Tuleshwori Devi Sapam, Anbumani Velmurugan Ilavarasi, Bhagath Kumar Palaka, Elakkiya Elumalai, Nirmala Devi Kanika, Dinakara Rao Ampasala
Mammalian lethal with SEC13 protein 8 (mLST8), is an indispensable protein subunit of mammalian target of rapamycin (mTOR) signaling pathway that interacts with the kinase domain of mTOR protein, thereby stabilizing its active site. Experimental studies reported the over expression of mLST8 in human colon and prostate cancers by activation of both mTORC1/2 complexes and subsequent downstream substrates leading to tumor progression. Considering its role, targeting mLST8 protein would be a therapeutic approach against tumor progression in colon and prostate cancers...
October 17, 2017: Journal of Receptor and Signal Transduction Research
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