Loading...
  • molecule
  • It is a method used to predict the binding orientation of one molecule with the other and used for any kind of molecule based on the interaction like, small drug molecule with its protein target, protein - protein binding or a DNA - protein binding. (igi-global.com)
  • candidates
  • 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)
  • 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)
  • The University of Michigan will lead the effort to expand and enhance the molecular data needed to develop computer programs that more accurately predict potential drug candidates. (emaxhealth.com)
  • Dr. Nilar has many years of experience in the molecular design of novel drug candidates against various infectious, neglected and tropical diseases such as HIV, Hepatitis-C, Hepatitis-B and Dengue Fever. (benthamscience.com)
  • molecular
  • Traditionally, the drug design process has focused on the molecular determinants of the interactions between the drug and its known or intended molecular target. (springer.com)
  • Skiles JW, Gonnella NC, Jeng AY (2004) The design, structure, and clinical update of small molecular weight matrix metalloproteinase inhibitors. (springer.com)
  • Chemist Heather Carlson, Ph.D., of the University of Michigan's College of Pharmacy will oversee the creation and operation of the new Community Structure-Activity Resource, which will include detailed molecular information about proteins that bind small, drug-like molecules called ligands. (emaxhealth.com)
  • He went on to receive his Ph.D. in Organic Chemistry under John Koh, at the University of Delaware in 2002 where he used molecular modeling to design and synthesize potentially therapeutic vitamin D analogs. (smi-online.co.uk)
  • proteins
  • And lastly, we'll move into virtual ligand docking, that's how we can simulate the docking of ligands into proteins and protein binding sites to understand potential interactions that can be exploited in optimizing potency in the drug program. (hstalks.com)
  • Most drugs work by latching onto proteins and altering a biological process. (emaxhealth.com)
  • protein
  • The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein , which in turn results in a therapeutic benefit to the patient . (wikipedia.org)
  • identifying whether the bound conformation of protein-ligand structure gives the lowest energy state and the impact of drug design. (smi-online.co.uk)
  • therapeutic
  • Whittaker M, Floyd CD, Brown P, Gearing AJ (1999) Design and therapeutic application of matrix metalloproteinase inhibitors. (springer.com)
  • peptides
  • Due to their high specificity and low toxicity profile, peptides have once again become central to the development of new drugs. (springer.com)
  • novo
  • In its most common form, it involves modification of a known active scaffold or linking known active scaffolds, although de novo drug design (i.e., from scratch) is also possible. (springer.com)
  • Hartenfeller M, Schneider G (2011) De novo drug design. (springer.com)
  • efficacious
  • 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)
  • Drug design is the fundamental step to ensuring that only the safest and most efficacious drugs are brought to the public. (smi-online.co.uk)
  • ligands
  • In recent years there has been increasing evidence of the importance of carbohydrates and glycoconjugates in biomedical applications, and the use of synthetic ligands based on carbohydrates as drugs has received much attention. (rsc.org)
  • quantitative
  • The Court in Bartlett went out of its way to state, "[o]nce a drug − whether generic or brand-name − is approved, the manufacturer is prohibited from making any major changes to the 'qualitative or quantitative formulation of the drug product, including active ingredients, or in the specifications. (lexology.com)
  • pharmaceutical
  • NMR in Drug Design discusses the use of nuclear magnetic resonance (NMR) in studies of the design, structure, mechanism, and actions of pharmaceutical agents. (routledge.com)
  • As we noted yesterday, true design claims, as opposed to failure to warn claims, aren't the crux of most pharmaceutical drug cases. (lexology.com)
  • potency
  • Indeed, there has already been considerable improvement in increasing drug potency and specificity, with huge commercial impact world-wide. (smi-online.co.uk)
  • relies
  • Drug design frequently but not necessarily relies on computer modeling techniques. (wikipedia.org)
  • Finally, drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design . (wikipedia.org)
  • Instead the Xarelto court, in its discussion of design defect, relies more on Wyeth v. Levine , using that decision on failure to warn claims to suggest that preemption is not as clear for brand manufacturers. (lexology.com)
  • 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)
  • research
  • A dvances in biomedical and pharmacological research have continued to benefit humanity by producing drugs that either alleviate symptoms of disease or provide a cure. (sciencemag.org)
  • He has published over 300 research articles and 9 books, largely devoted to the introduction and application of this information in drug design. (benthamscience.com)