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  • candidates
  • Drug Design and Optimization Lab better known as "D2OL" was a Distributed Computing project with the goal of discovering drug candidates to fight SARS, Anthrax, Smallpox and other diseases and is currently being hosted by The Rotherberg Institute. (wikipedia.org)
  • Tropsha now develops models to test the relation between structure and activity of drug candidates and studies protein folding and the effects of mutations on protein structure. (sciencemag.org)
  • Promising candidates are refined, the active ingredient is identified, and a drug is born. (everything2.com)
  • This week they published very encouraging results where they describe the exclusive use of bioinformatics software to develop new potential drug candidates against a newly discovered, essential enzyme of the Malaria-inducing parasite, Plasmodium falciparum. (biologynews.net)
  • According to an article in Word Pharma News, ( http://bit.ly/1aDi45H ), Bayer announced that they were now accelerating the development of five promising drug candidates which are currently undergoing phase I and II clinical studies. (prweb.com)
  • The company plans to progress these five new highly innovative drug candidates in the areas of oncology, cardiology, and women's health into phase III clinical studies by 2015. (prweb.com)
  • This could to lead to stronger and more selective drug candidates, while lower amounts would be needed to trigger the desired effect. (nanowerk.com)
  • SMi's 15th Annual Drug Design Conference will focus on biophysical techniques to highlight advancements in modelling protein conformations and drug candidates. (smi-online.co.uk)
  • methods
  • In addition to small molecules, biopharmaceuticals and especially therapeutic antibodies are an increasingly important class of drugs and computational methods for improving the affinity, selectivity, and stability of these protein-based therapeutics have also been developed. (wikipedia.org)
  • In Peptide-Based Drug Design: Methods and Protocols , expert researchers provide a handbook which offers a selection of research and production tools suitable for transforming a promising protein fragment or stand-alone native peptide into a pharmaceutically acceptable composition. (springer.com)
  • Comprehensive and up-to-date, Peptide-Based Drug Design: Methods and Protocols shows its subject to be an independent science on the rise, and provides scientists with a clear, concise guide for continuing this vital research. (springer.com)
  • Nicolaou CA, Brown N (2013) Multi-objective optimization methods in drug design. (springer.com)
  • They were able to do this by examining the drug and without having to label the protein, as is required in some other methods. (nanowerk.com)
  • compounds
  • The search for small molecules that bind to the target is begun by screening libraries of potential drug compounds. (wikipedia.org)
  • There are also compounds that can be considered as soft chemicals (e.g., malathion) or soft drugs (e.g., articaine, methylphenidate)even though they were not developed as such. (wikipedia.org)
  • The term drug design describes the search of novel compounds with biological activity, on a systematic basis. (springer.com)
  • Kohn has collaborated with Tropsha to develop a new series of anti-epileptic drugs that could be even more powerful than one of his earlier discovered compounds. (sciencemag.org)
  • The closed-to-open equilibrium of cNTnC can be shifted towards the open state by small compounds (see section below on troponin-binding drugs). (wikipedia.org)
  • protein
  • To find drugs that act specifically against a protein without also binding to others that are similar and so causing side effects it is important to understand this binding site in detail. (nanowerk.com)
  • Many current techniques can only provide partial information, giving details about which parts of the drug itself are important and, in some cases, the overall structure of the protein. (nanowerk.com)
  • Researchers at the University of East Anglia have now developed a new approach that can reveal the other side of the jigsaw puzzle which parts of the protein interact with the drug. (nanowerk.com)
  • It adapts a technique known as ligand-based Nuclear Magnetic Resonance (NMR) spectroscopy to reveal which amino acids in the protein are involved in binding to the drug. (nanowerk.com)
  • It is based on an existing NMR technique used to study drug-protein interactions called STD-NMR. (nanowerk.com)
  • This approach is similar to covering the protein with paint and then pressing the drug against it to see which parts get stained. (nanowerk.com)
  • This allowed them to unpick which amino acids in the protein s binding site are directly in contact with the drug from the paint marks they leave behind. (nanowerk.com)
  • This means they only have to look at the drug to work out the important parts of the protein that are being targetted. (nanowerk.com)
  • This will allow them to determine what are the best chemical requirements for a drug to interact specifically with a given protein receptor. (nanowerk.com)
  • identifying whether the bound conformation of protein-ligand structure gives the lowest energy state and the impact of drug design. (smi-online.co.uk)
  • In the design of these inhibitors, the basic protein backbone of collagen is maintained but the amide bond is replaced with a zinc-binding group. (wikipedia.org)
  • metabolic
  • Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, side effects, etc., that first must be optimized before a ligand can become a safe and efficacious drug. (wikipedia.org)
  • novel
  • Designing novel drugs is a bit like finding the proper piece that fits into a jigsaw puzzle, said Dr Jesus Angulo, a senior lecturer at the University of East Anglia s school of pharmacy who led the research. (nanowerk.com)
  • attrition
  • Nevertheless, due to high attrition rates, especially during clinical phases of drug development, more attention is being focused early in the drug design process on selecting candidate drugs whose physicochemical properties are predicted to result in fewer complications during development and hence more likely to lead to an approved, marketed drug. (wikipedia.org)
  • targets
  • Potential drug targets are not necessarily disease causing but must by definition be disease modifying. (wikipedia.org)
  • In: Vaz RJ, Klabunde T (eds) Anti-targets: prediction and prevention of drug side effects. (springer.com)
  • Special computational techniques are also available to discover biological targets (proteins, nucleic acids) of a drug. (sciencemag.org)
  • These enzymes are an important class of drug targets as their over expression is associated with many disease states. (springer.com)
  • molecules
  • In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. (wikipedia.org)
  • In some cases, small molecules will be designed to enhance or inhibit the target function in the specific disease modifying pathway. (wikipedia.org)
  • Most commonly, drugs are organic small molecules produced through chemical synthesis, but biopolymer-based drugs (also known as biopharmaceuticals) produced through biological processes are becoming increasingly more common. (wikipedia.org)
  • CDSs are biologically inert molecules intended to enhance drug delivery to a particular organ or site and requiring several conversion steps before releasing the active drug. (wikipedia.org)
  • Nanowerk News ) A powerful new way of analysing how drugs interact with molecules in the body could aid the design of better treatments with fewer side-effects. (nanowerk.com)
  • metabolism
  • One approach is the design of soft drugs (SDs), new, active therapeutic agents, often isosteric or isolelectronic analogs of a lead compound, with a chemical structure specifically designed to allow predictable metabolism into inactive metabolites after exerting their desired therapeutic effect(s). (wikipedia.org)
  • specificity
  • Indeed, there has already been considerable improvement in increasing drug potency and specificity, with huge commercial impact world-wide. (smi-online.co.uk)
  • receptor
  • These drugs are serotonergic psychedelics, which is a consequence of their ability to activate the 5-HT2A receptor. (wikipedia.org)
  • Pfizer
  • Join us for a keynote address on reviving covalent drug design in oncology from Pfizer, and a case study session on target validation of NCE's through fragment screening and opportunities for antibodies as guidance tools from UCB. (smi-online.co.uk)
  • diseases
  • The aim is to develop drugs for some of the most severe and widely spread diseases in the world, such as malaria and TB. (biologynews.net)
  • development
  • Since its introduction by Nicholas Bodor in the late 1970s, the soft drug concept generated considerable research both in academic and in industrial settings and there are several rationally designed soft drugs that have either already reached the market, such as esmolol (Breviblock) landiolol (Onoact) remifentanil (Ultiva) loteprednol etabonate (Lotemax, Alrex, Zylet) clevidipine (Cleviprex) or are in late-stage development (remimazolam, budiodarone, celivarone, AZD3043, tecafarin). (wikipedia.org)
  • Raschi E, Vasina V, Poluzzi E, De Ponti F (2008) The hERG K+ channel: target and antitarget strategies in drug development. (springer.com)
  • Obtain comprehensive insight into the world of drug design from all stages of research and development. (smi-online.co.uk)
  • processes
  • Assuming an ideal situation, with a CDS the drug is present at the site and nowhere else in the body because enzymatic processes destroy the drug at those sites. (wikipedia.org)
  • modifications
  • The volume delves into contemporary, cutting-edge subjects such as hit isolation and target validation, computer-aided design, sequence modifications to satisfy pharmacologists, in vivo stability and imaging, and the actual production of difficult sequences. (springer.com)
  • Food and Drug Admin
  • In addition to administering Medicare and Medicaid, which together provide health insurance to one in four Americans, HHS also oversees the National Institutes of Health, the Food and Drug Administration, and the Centers for Disease Control. (wheelingjesuituniversity.com)
  • March 2001: The US Supreme Court affirmed the Circuit Court's ruling that the Food and Drug Administration could not class tobacco as a pharmaceutical, so could not control its production through the Food, Drug and Cosmetic Act. (wikipedia.org)
  • system
  • Both Truvada (the coformulation of Viread and Emtriva ), as well as Viramune have very long half lives, which means that these drugs stay in your system for a long time after you have taken the dose. (thebody.com)
  • A design orientation integrates instead a holistic view into the design by leaving the pre-dominant sequential notion in system modeling. (diva-portal.org)
  • clear
  • Viramune is not yet FDA approved for once daily administration, but the pharmacokinetic studies are very clear that this drug can be taken once a day in patients initially tolerating the twice daily dose well. (thebody.com)
  • long
  • Long drugs to the methylprednisolone and prednisolone equivalent american journal of gastroenterology can view this syndromediabetesglaucomaheart. (420surveillance.com)
  • research
  • This is a pilot study with a cross-sectional research design to recruit Hispanic/Latina and African American adolescent and young adult women , aged 13-24 years to serve as index recruiters, who will in turn recruit members of her female friendship network, aged 13 years and older to undergo HIV screening. (clinicaltrials.gov)
  • The proposed pilot study will utilize a cross-sectional research design to recruit Hispanic/Latina and African American young women to undergo HIV screening. (clinicaltrials.gov)
  • Her research has explored the effects of polyamines and ODC on the tumor microenvironment, as well as polyamine-targeted therapies designed to help reduce tumor growth. (wikipedia.org)
  • late
  • The Fairey P.16 Prince was a British experimental 1,500 hp (1,118 kW) 16-cylinder H-type aircraft engine designed and built by Fairey in the late 1930s. (wikipedia.org)
  • The Ministry of Education appointed a limited statutory manager late in 2009 to investigate alleged mismanagement, inappropriate drug-testing and financial issues regarding the school hostel. (wikipedia.org)
  • million
  • A U.S. group is trying to block patents in five countries for Gilead Sciences Inc.'s costly hepatitis C drug Sovaldi, in a bid to give almost 60 million afflicted people access to cheaper generic versions. (kff.org)
  • production
  • citation needed] Before the Schweizer acquisition, Thurston had designed, in conjunction with an aviation magazine, a landplane version designated TSC-2 Explorer, and Marvin Patchen Inc., which financed this development, acquired the production rights for this aircraft, planning to build civil and law-enforcement versions as the Explorer and Observer respectively. (wikipedia.org)