12 research outputs found

    In silico targeting of osmoporin protein of Salmonella to identify anti-Salmonellosis phyto-compounds

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    Salmonella enterica serotype typhi is a gram-negative, rod-shaped bacterium, and has flagella with the human body as its only reservoir. Typhoid fever was found to cause 21.7 million illnesses and 216,000 fatalities worldwide in 2000, and the International Vaccine Institute estimated 11.9 million cases and 129,000 deaths in low- and middle-income countries in 2010. More than 10 million patients were infected with S. typhi each year and the mortality rate is associated with more than 0.1 million patients. Moreover, it is also associated with drug resistance globally which makes the disease more dreadful. Other than antibiotics, various flavonoids showed medicinal effects against many diseases including S. typhi infection. Flavonoids are a type of plant bioactive metabolite that have potential medicinal efficacy. The goal of this study was to see if certain flavonoids (ellagic acid, eriodictyol, and naringenin) could interact with the outer membrane of osmoporin (PDB ID: 3uu2) receptor in Salmonella and helps in inhibiting its growth. To look for probable ligand-receptor binding relationships, we used Pyrxmolecular docking software. The molecular docking results were analyzed using the Biovia discovery studio visualizer. The current study discovered that selected plant-based compounds interacted with an outer membrane of the osmoporin receptor, resulting in minimization of energy in the range of-6.6 to -7.8 Kcal/mol

    In Silico Targeting of influenza virus haemagglutinin receptor protein using Diosmetin, Tangeritin, and Anthocyanidins as potential drugs

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    Influenza viruses cause acute respiratory illnesses in birds, humans, and other mammals, and are a major public health concern around the world. Pandemic flu could be caused by an unforeseen human adaptation of an influenza subtype or strain rather than currently circulating influenza viruses. The need for plant metabolites-based new anti-influenza drugs appears to be urgent. Blocking Haemeagglutinin (HA) protein is one of the most appealing drug targets to halt the growth of the virus. The influenza virus can acquire resistance to currently existing therapies, therefore necessitating the development of new medications. The plant's bioactive metabolites, flavanoids are having potential medicinal efficacy. The current study aimed to identify certain flavonoids (Diosmetin, Tangeritin, and Anthocyanidins) that might interact with the HA protein of the influenza virus and help in inhibiting its growth. We used PyRx v0.8 for virtual screening and docking studies. The highest binding affinity docked structures were analyzed using PyMOL and Discovery Studio Visualizer. The present study revealed that these naturally occurring compounds interacted with HA protein, resulting in the minimization of energy in the range of -5.2 to -7.0 kcal/mol. Diosmetin showed the best binding affinity of -7.0Kcal/mol. The molecular binding studies revealed that Diosmetin, Tangeritin, and Anthocyanidins are potential compounds to test against HA protein and can be used to develop effective anti-influenza agents

    Glucose-6-Phosphate Dehydrogenase Deficiency and Hereditary Ovalocytosis in the Ok Tedi Impact Region of Papua New Guinea

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    We report the distribution of two genetic traits, glucose-6-phosphate dehydrogenase (G-6-PD) deficiency and hereditary ovalocytosis (HO) in a number of populations living in the Ok Tedi impact region of Papua New Guinea. Significant interpopulation heterogeneity in the distributions of G-6-PD deficiency and HO was observed. The highlands populations of the region did not show any G-6-PD deficiency, but in the highlands fringe and lowland populations the trait has achieved polymorphic frequencies. Hereditary ovalocytosis is significantly more common in the region and is present in all the populations studied, including those in the highland valleys. Distribution patterns of the two genetic markers correspond well with the pattern of malaria endemicity in the region, providing support for the hypothesis that relates the distribution of these polymorphisms to that of malaria

    Vacancies driven magnetic ordering in ZnO nanoparticles due to low concentrated Co ions

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    The lattice defects due to oxygen vacancies in ZnO nanoparticles with low doping of Co ions are investigated. The low concentrated Co ions in ZnO are responsible to the free charge carriers and oxygen vacancies to induce long-range ferromagnetic ordering. We have synthesized Zn1-xCoxO [x = 0.002, 0.004, 0.006 and 0.008] nanoparticles by a sol-gel process. X-ray fluorescence analysis detects the chemical composition of Zn, Co and O atoms. Rietveld refinement of x-ray diffraction pattern could confirm the wurtzite ZnO structure and the lattice constants with Co doping. The nanoparticles dimensions as well lattice spacing of ZnO are enhanced with Co substitution. Fourier transform infrared vibrational modes involve some organic groups to induce lattice defects and the ionic coordination among Zn, Co and O atoms. The room temperature Raman active mode E-2 indicates frequency shifting with Co to induce stress in the wurtzite lattice. Photoluminescence spectra have a strong near-band-edge emission due to band gap energy and defects related to oxygen vacancies. X-ray photoelectron spectra confirm that the low dopant Co ions in ZnO lattice occupied Zn atoms by introducing oxygen vacancies and the valance states Zn2+, Co-2,Co-3+. The zero-field and field cooling magnetic measurement at 500 Oe in Co:ZnO samples indicate long-range ferromagnetism that is enhanced at 10 K due to antiferromagnetic-ferromagnetic ordering. The lattice defects/vacancies due to oxygen act as the medium of magnetic interactions which is explained by the bound magnetic polaron model

    A single α‐globin gene deletion in Australian Aborigines

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    alpha- and beta-thalassaemias and other haemoglobinopathies have not so far been reported in Australian Aborigines. Using a DNA mapping technique, we tested groups of Aborigines for a deletion form of alpha-thalassaemia and found that there was a single alpha-globin gene deletion (-alpha/alpha alpha) in some populations. The alpha-globin gene deletion was detected in Aboriginal DNA samples collected from Kalumburu in the Kimberley region of Western Australia. It was found also in one sample from Mowanjum, near Derby in Western Australia, and in one from Mornington Island in the Gulf of Carpentaria. It was not observed in Aboriginal DNA samples from the central desert. Further analysis of the alpha-globin gene deletion revealed that it was of the 3.7 kilobase (Kb) (-alpha 3.7) type. However, the -alpha 3.7 deletion in the Aborigines is apparently different from that found in southern Papua New Guinea as it is linked to a different zeta-globin gene polymorphism. The presence of this silent alpha-thalassaemia in several populations of Aborigines may be explained in several ways. The most likely is through contact with Macassans or other voyagers from the Indonesian and Southeast Asian areas

    Human settlements

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    Australia's transition to the 21st century has been marked by an extended period of economic prosperity unmatched for several decades, but one in which a series of question marks are being raised in three principal areas: in relation to the environment, the social well-being of the population, and the future path of economic development. The first concern, which is of primary interest in this report, relates to the physical environment of cities and their surrounding regions, and the range of pressures exerted by population and human activity. The report begins by noting the increasing divergence of the prime indicator of national economic performance---gross domestic product (GDP)---from the Genuine Progress Indicator (GPI). GPI is a new experimental measure of sustainable development that accommodates factors currently unaccounted for in GDP, such as income distribution, value of household work, cost of unemployment, and various other social and environmental costs. The divergence of these two indicators in recent decades suggests that Australia's growth has been heavily dependent on the draw-down of the nation's stocks of capital assets (its infrastructure), its human and social capital, and its natural capital (Hamilton 1997). The pressures of Australia's consumption are becoming increasingly obvious. The 1996 SoE Report on Human Settlements highlighted several issues of concern. Australia's major cities and coastal towns were absorbing most of the nation's population growth, placing pressure on natural environments, productive agricultural land, water resources, urban airsheds, and sewage and waste disposal systems. At the same time, many inland towns were declining in population and economic well-being, thereby compromising their capacity to manage or rehabilitate their immediate environment. Remote Indigenous communities were found to be suffering from critically low levels of social amenity, inadequate housing, and poor waste treatment and water supply systems, and presented severe health problems. In 2001, the areas of focus are: Future population; Coastal belt; Cities versus country; Re-urbanisation versus suburbanisation; Density of development; Resident versus visitor populations; Indigenous settlement; Per capita consumption; Greenhouse; Material consumption; Energy consumption; Water availability and use; Land, water, food, air and noise quality; Effectiveness of urban infrastructure networks; Human health and well-being; Waste recycling and reuse; Urban planning and design; and the patchiness of prosperity
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