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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
http://www.sciencecodex.com/read/new_techniqu...hallenging_proteins-81449
[...] a new technique for identifying molecular structure can [now] be used effectively on small samples of biological proteins, particularly proteins that are targeted for drug development. The technique, an enhanced form of nuclear magnetic resonance (NMR) spectroscopy, could enable the structure of a protein to be identified within hours, rather than weeks or months, radically speeding up the process of drug discovery. [...] [the] method [is] known as dynamic nuclear polarisation (DNP), which boosts the number of nuclei that can be measured through NMR and so increases the signal picked up from the protein. [...] |
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
http://www.popsci.com/science/article/2011-11...hers-resolution-down-atom
[...] a team of researchers at the Institute of Process Engineering of Chinese Academy of Sciences (CAS-IPE) generated the first computational model of the H1N1 virus at the atomic level. Using molecular-dynamics simulations, CAS-IPE’s Mole-8.5 supercomputer, and 2,200 graphics processors, researchers there built a molecular model of the virus, accounting for every last atom in the H1N1 virion (a virion being a single virus particle) [...] which we can experiment with under many different environments and conditions with a variety of drugs, and we can know every detail of the change in the virion,” says Dr. Wei Ge, a professor of chemical engineering at CAS-IPE and a principal in the H1N1 modeling effort, told PopSci via email. “Therefore, we believe it could provide a possible way to bridge virology, epidemiology, and drug design on the molecular level.” [...] It points toward a day when new virus strains, once discovered, could be rapidly characterized, modeled, and tested for potential treatments at a much faster pace than they ever have been previously. All this could happen without having to grow a potentially deadly bug in the lab and then go through the painstaking, lengthy, and expensive process of testing various potential treatments to see what works. That could substantially trim the timeline between the discovery of a deadly pathogen and finding a treatment or vaccine, which in turn could save countless lives. “Once the virion is constructed, it can be used under different conditions and be simulated for any length of time,” Ge says. “Such simulations give us a virtual micro-world that can be manipulated and analyzed at will. Such simulations may eventually be a game-changer for the science and technology of epidemiology, virology, and drug discovery.” |
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
http://www.sciencecodex.com/read/creation_of_...engineering_efforts-81618
Creation of the largest human-designed protein boosts protein engineering efforts [...] "We now have the algorithms we need to engineer large proteins with shapes that you don't see in nature. This gives us the tools we need to create new, more effective antibodies and other beneficial proteins," said Jens Meiler, the associate professor of chemistry at Vanderbilt who led the effort. Recently, protein engineers have verified a potential treatment strategy for HIV by using designed protein vaccines in mice and have designed artificial proteins that mimic antibodies in broadly neutralizing flu infections. The technique developed at Vanderbilt promises to expand the scope of these efforts substantially. [...] Over the past 10 years an increasing number of proteins that don't exist in nature have been designed "in silico" (in a computer). Scientists use sophisticated protein modeling software that incorporates the relevant laws of physics and chemistry to find amino acid sequences that fold into stable forms and have specific functions. [...] The newly designed protein contains 242 amino acids. [...] [accomplishing that] by modifying the widely used protein engineering platform called ROSETTA so that it can incorporate symmetry in the design process. Their success provides new support for a controversial theory about protein evolution called the gene duplication and fusion hypothesis. [...] Because they have two identical halves, dimers have a large degree of symmetry. By taking these symmetries into account, the Vanderbilt group was able to substantially reduce the amount of computing time required to create the FLR protein. Using 400 processors of the supercomputer at Vanderbilt's Advanced Computing Center for Research and Education, it took 10 days of continuous processing to find the most stable configuration. To check the accuracy of their design, the researchers synthesized the DNA sequence that produces the protein, inserted it in E.coli bacteria and determined that they produced the protein and it folded properly. The FLR protein assumes a 3-D shape called a TIM barrel, which is found in 10 percent of proteins and is particularly prevalent among enzymes. It is formed from eight beta strands that are surrounded by eight alpha helices arranged in a hexagonal shape like a tiny barrel. |
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
http://www.sciencecodex.com/read/georgia_tech...ve_drug_development-81725
[...] Symmetry-adapted perturbation theory (SAPT) allows scientists to study interactions between molecules, such as those between a drug and its target. In the past, computer algorithms that study these noncovalent interactions have been very slow, limiting the types of molecules that can be studied using accurate quantum mechanical methods. A research team headed by Georgia Tech Professor of Chemistry David Sherrill has developed a computer program that can study larger molecules (more than 200 atoms) faster than any other program in existence. "Our fast energy component analysis program is designed to improve our knowledge about why certain molecules are attracted to one another," explained Sherrill, who also has a joint appointment in the School of Computational Science and Engineering. "It can also show us how interactions between molecules can be tuned by chemical modifications, such as replacing a hydrogen atom with a fluorine atom. Such knowledge is key to advancing rational drug design." The algorithms can also be used to improve the understanding of crystal structures and energetics, as well as the 3D arrangement of biological macromolecules. Sherrill's team used the software to study the interactions between DNA and proflavine; these interactions are typical of those found between DNA and several anti-cancer drugs. The findings are published this month in the Journal of Chemical Physics. Rather than selling the software, the Georgia Tech researchers have decided to distribute their code free of charge as part of the open-source computer program PSI4, developed jointly by researchers at Georgia Tech, Virginia Tech, the University of Georgia and Oak Ridge National Laboratory. It is expected to be available in early 2012. "By giving away our source code, we hope it will be adopted rapidly by researchers in pharmaceuticals, organic electronics and catalysis, giving them the tools they need to design better products," said Sherrill. Sherrill's team next plans to use the software to study the noncovalent interactions involving indinavir, which is used to treat HIV patients. [...] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
that above link is not working Papa at the moment
HPV increases risk of HIV – study Women with human papillomavirus (HPV), a precursor to cervical cancer, face a higher risk of HIV infection. |
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littlepeaks
Veteran Cruncher USA Joined: Apr 28, 2007 Post Count: 748 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
Glowing kittens (pictured below) get their shine from a fluorescent tag cribbed from jellyfish DNA. The kittens express enhanced green fluorescent protein (eGCP) and TRIMcyp, which also cause their white blood cells to resist Feline Immunodeficiency Virus (FIV). The described research may assist AIDS prevention research in humans. See the bottom half of the following page:
----------------------------------------http://cen.acs.org/articles/89/i46/Uranium-Glazed-Pottery-Fluorescent-Cats.html ![]() Credit: Mayo Clinic [Edit 2 times, last edit by littlepeaks at Nov 20, 2011 6:21:38 AM] |
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Michael2901
Veteran Cruncher Joined: Feb 6, 2009 Post Count: 586 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
http://vitamind3blog.com/2011/04/vitamin-d-deficiency-hiv-aid/
" Vitamin D3 Blog Everything you need to know about Vitamin D3 (cholecalciferol). Vitamin D Deficiency, HIV and AIDS A new study conducted by a network of scientists called EuroSIDA found that vitamin D deficiency is extremely common among HIV patients, and that the deficiency is associated with the progression of the disease. While not the first study to show that patients infected with HIV tend to be deficient in vitamin D at a rate well above that of the normal population, the research by the EuroSIDA cooperative went above and beyond existing research in the establishment of a direct relationship between low levels of the nutrient and the overall mortality rate as well as the progression of the disease that can lead to AIDS... Vitamin D3 can be obtained in three ways: through sunlight, food and supplements. Since food and sunlight fall under the “lifestyle” category, we can effectively dismiss these methods of ingestion, as the HIV patients are already deficient, and rather than expect them to completely change their diet and lifestyle, the safe alternative is to focus exclusively on supplements, as they are the only viable long-term solution. HIV-infected patients should obtain a high-quality, high-potency vitamin D3 (cholecalciferol) supplement. 5,000 IU is a dosage amount that is common among high-potency vitamin D3 supplements. While not an amount officially endorsed by a government or health organization, it is the amount this author would recommend HIV patients start on until they’ve had time to have their blood-levels of vitamin D tested to determine their exact nutritional needs." |
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Michael2901
Veteran Cruncher Joined: Feb 6, 2009 Post Count: 586 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
http://www.medscape.com/viewarticle/738352
"Vitamin D3 Beneficial for HIV-Infected Youth Receiving Tenofovir March 3, 2011 (Boston, Massachusetts) — The results of a randomized double-blind placebo-controlled study have shown that a 12-week course of high-dose vitamin D3 supplementation is safe and significantly reduces both vitamin D insufficiency and serum parathyroid hormone (PTH) levels in HIV-positive youth who are being treated with the reverse transcriptase antiretroviral tenofovir. The results were reported here at the 18th Conference on Retroviruses and Opportunistic Infections. The investigators said that although the length of the study precludes conclusions about clinical significance, the results provide clear evidence of the value of vitamin D supplementation in young tenofovir-treated HIV-infected patients. "By giving vitamin D once a month in a short 3-month study, we showed that, in HIV-infected patients taking tenofovir, the levels of PTH came down — not to the low levels you would see in people not on tenofovir — but we were able to decrease the level of PTH by 46% in patients taking tenofovir. In patients not taking tenofovir, vitamin D supplementation had no effect," principal investigator Peter Havens, MD, program director, HIV, at the Children's Hospital of Wisconsin in Milwaukee, told Medscape Medical News. Tenofovir has been linked to increased bone loss, as evidenced by elevated levels of PTH and reduced renal tubular phosphate absorption. This reduced absorption is a hallmark of vitamin D deficiency (a serum level of 25-OH-vitamin D3 below 30 ng/mL), and can be at least partially reversed by vitamin D supplementation. Vitamin D deficiency occurs in more than 80% of HIV-positive youth in the United States..." |
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
Jean Pierre, I just tested all 3 links & they all work. Science Codex is a very popular site & sometimes their database server gets overloaded, but it's only temporary...
http://www.sciencecodex.com/read/scripps_rese...nnovative_chemistry-81828 [...] scientists on the Florida campus of the Scripps Research Institute have created a new class of small molecules with the potential to serve as a rich foundation for drug discovery. Combining the power of synthetic chemistry with some advanced screening technologies, the new approach could eventually expand by millions the number of provocative synthetic compounds available to explore as potential drug candidates. This approach overcomes substantial molecular limitations associated with state-of-the-art approaches in small molecule synthesis and screening, which often serve as the foundation of current drug discovery efforts. [...] In high-throughput screening, diverse collections of molecules are evaluated en masse for potential function in a biological area of interest. In this process, success is critically dependent on the composition of the molecular collections under evaluation. Modern screening centers maintain a relatively static collection of molecules, the majority of which are commercially available materials that have structures unrelated to natural products -- molecules that are appreciated as validated leads for drug development. [...] To expand the compounds available for investigation, the scientists embraced an approach to structural diversity that mimics nature's engine for the discovery of molecules with biological function. This process, termed "oligomerization," is a modular means of assembling structures (akin to the way that letters are used in a sequence to provide words with meaning) where a small collection of monomeric units can deliver a vast collection of oligomeric products of varying length, structure, and function (like the diversity of words presented in a dictionary). Coupling this technique with a synthetic design aimed at generating molecules that boast molecular features inspired by the structures of bioactive natural products (specifically, polyketide-derived natural products, which include erythromycin, FK-506, and epothilone), the scientists established a new chemical platform for the discovery of potential therapeutics. [...] The potential of this vision was highlighted in the new study, in which a 160,000-member compound collection was employed to discover the first non-covalent small molecule ligand to the DNA binding domain of p53 -- an important transcription factor that regulates a variety of genes involved in cell cycle control and cell death. |
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