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*  SuperBiHelix method for predicting the pleiotropic ensemble of G-protein-coupled receptor conformations | PNAS
... and therefore more successful rational drug design. The computational methodology can also be used to probe GPCR activation as ... the SuperBiHelix method has performed well at predicting the receptor structures. Prediction of ligand binding sites (without ... was highlighted by designing a constitutively active mutant based on an inactive CB1 receptor mutant. It shows the strength of ... Also, the method is predictive as exemplified by the design of CB1 receptor mutants with altered G-protein coupling efficacy, ...
  http://www.pnas.org/content/111/1/E72
*  Advances and Progress in Drug Design : Pharmaceuticals : All
... drug designing has moved from traditional methods to advanced methods like computer aided drug designing and computational ... 9:10 Rational GPCR drug discovery?. Zara Sands, Principal Scientist, Medicinial Chemistry, UCB BioPharma. *Successful ... Can novel lipid binding sites be identified in targets including proteases?. *Can native membrane protein targets be isolated? ... fragment based drug designing, computer based drug designing, pharmacokinetics, polypharmacology and metabolism in drug ...
  http://www.smi-online.co.uk/pharmaceuticals/archive/2-2015/conference/drug-design
*  <i>In Silico</i> Analyses of Epicoccamides on Selected <i>Leishmania</i> Trypanothione...
Trypanothione reductase is a validated target for rational drug design against visceral leishmaniasis, most lethal form of ... Rational approaches for drug designing against leishmaniasis. ApplBiochemBiotechnol 2010;160:2208-18. ... rational drug discovery. The active sites are the coordinates of the ligand in the original target protein grids and these ... Materials and Methods. The crystal structure of Leishmania trypanothione reductase (PDB ID: 2W0H) was obtained from the Protein ...
  http://www.ijpsonline.com/articles/iin-silicoi-analyses-of-epicoccamides-on-selected-ileishmaniai-trypanothione-reductase-enzymebased-target.html
*  Leishmaniasis | Trypanothione Reductase | Epicoccamide Derivatives | In Silico Analysis
Leishmaniasis is a protozoal infection which presents a broad spectrum drug resistance and causing diseases ranging from ... Trypanothione reductase is a validated target for rational drug design against visceral leishmaniasis, most lethal form of ... Rational approaches for drug designing against leishmaniasis. ApplBiochemBiotechnol 2010;160:2208-18. ... rational drug discovery. The active sites are the coordinates of the ligand in the original target protein grids and these ...
  http://www.ijpsonline.com/articles/iin-silicoi-analyses-of-epicoccamides-on-selected-ileishmaniai-trypanothione-reductase-enzymebased-target.html?view=mobile
*  Difference between revisions of "Silver: Publications (2000-)" - OpenWetWare
Rational design of memory in eukaryotic cells. 2007. Genes and Development, 2271-6. ... Designing biological systems to report on disease. 2012. Designing Biological Systems to Report on Disease. Cancer Research. ... Statistical methods for analysis of high-throughput RNA interference screens. 2009. Nature Methods, 8:569-75. ... Drug Discov. Today. 2003; 8(2):78-85. Abstract. *Hieronymus, H. and Silver, P.A. Genome-wide analysis of RNA-protein ...
  https://openwetware.org/wiki/?title=Silver:_Publications_
*  Chemical library - Wikipedia
Assay Drug Dev Technol. 2004 Dec;2(6):675-81 Casey R. Designing Chemical Compound Libraries for Drug Discovery. Business ... "Rational Methods for the Selection of Diverse Screening Compounds". ACS Chem. Biol. 6 (3): 208-217. doi:10.1021/cb100420r. PMID ... Depending upon their scope and design, chemical libraries can also be classified as diverse oriented, Drug-like, Lead-like, ... libraries and synthesis to just those types of chemicals known to have affinity for ATP binding sites or allosteric sites. ...
  https://en.wikipedia.org/wiki/Chemical_library
*  Propofol Inhibits SIRT2 Deacetylase through a Conformation-specific, Allosteric Site
... propofol and these proteins should allow the rational design of new hypnotics that specifically target relevant binding sites. ... Designing ligands with greater selectivity for specific sites should also alleviate side effects caused by propofol binding to ... 1A), a photoactive propofol analog developed in our laboratory (7), to investigate drug binding in rat CNS tissue. We ... 2,6-Diisopropylphenol (propofol) was purchased from Sigma-Aldrich, and AziPm was synthesized according to published methods (7 ...
  http://pubmedcentralcanada.ca/pmcc/articles/PMC4375505/
*  Nanocarrier Hydrodynamics and Binding in Targeted Drug Delivery: Challenges in Numerical Modeling and Experimental Validation |...
Use of functionalized drug NCs offers a variety of tunable design parameters (e.g., size, shape, type, method of ... will be most useful for rational design of NCs for drug delivery. ... The challenge of designing functionalized drug NCs includes ... This is ideal for specific drug targeting to sites of pathology. Binding was increased by raising the mAb surface density on ... Therefore, research in this area must be focused on deriving detailed information that will guide rational NC design via a ...
  http://nanoengineeringmedical.asmedigitalcollection.asme.org/article.aspx?articleid=1712639
*  Histamine-functionalized copolymer micelles as a drug delivery system in 2D and 3D models of breast cancer - Journal of...
Optimization and rational control of the intracellular localization of both DDS and the parent drug can give nanomedicines a ... or extracellular sites of tumours, the histamine groups are positively charged and hydrophilic. pH responsible polymer drug ... a key issue when designing NPs for drug delivery has been enhancing cellular uptake by promoting endo-lysosomal escape of the ... 2.3 Methods. General procedure for synthesis of PAGE-b-PEO block-copolymers. All polymerizations were carried out on a Schlenk ...
  http://pubs.rsc.org/en/content/articlehtml/2015/tb/c4tb02051k
*  Controlling the Specificity of Modularly Assembled Small Molecules for RNA via Ligand Module Spacing: Targeting the RNAs that...
In an effort to better exploit this potential, rational methods are being developed to design small molecules that bind RNA ... Nat Rev Drug Discov. 2004;3:660-672. [PubMed]. 36. Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, ... Thus effective inhibitors block as many MBNL1 binding sites in the target RNA as possible. Such observations also have been ... These studies establish that modular assembly is an effective approach for designing ligands that target DM1 RNAs. Furthermore ...
  http://pubmedcentralcanada.ca/pmcc/articles/PMC2801143/
*  Review. Bioinformatics - a definition 1. As submitted to the Oxford English Dictionary - PDF
Rational Drug Design One of the earliest medical applications of bioinformatics has been in aiding rational drug design. Figure ... and the methods that have been used to identify regulatory binding sites in the upstream regions. Finally, we provide an ... Finally, using docking algorithms, one could identify or design ligands that may bind the protein, paving the way for designing ... The first is represented by the vertical axis in the figure and outlines a possible approach to the rational drug design ...
  http://docplayer.net/21205-Review-bioinformatics-a-definition-1-as-submitted-to-the-oxford-english-dictionary.html
*  Download Mass Spectrometry In Drug Metabolism 1977
own Research and Scientific Method Chip Designing warm tiles. The fast-breaking is especially found. The category has the story ... We would share to overcome you for a download Mass of your somebody to have in a rational heaven, at the examination of your ... long chains in this page of first people that help sites the queens write. You want this background with the account of ... move over the single 20 papers by the National FIRE Design Team. The download Mass Spectrometry in time world follows added. ...
  http://anthonyflood.com/anarchristian/wp-includes/widgets/pdf/download-Mass-Spectrometry-in-Drug-Metabolism-1977/
*  Drug design - Wikipedia
Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new ... Current methods for structure-based drug design can be divided roughly into three main categories. The first method is ... Structure-based drug design attempts to use the structure of proteins as a basis for designing new ligands by applying the ... since drug interactions with off-target molecules may lead to undesirable side effects. Due to similarities in binding sites, ...
  https://en.wikipedia.org/wiki/Drug_design
*  A perspective on multi-target drug discovery and design for complex diseases | Clinical and Translational Medicine | Full Text
This Perspective will focus on the molecular and computational approaches that underpin drug design by medicinal chemists to ... Modern drug discovery has the power to identify potential modulators for multiple targets from millions of compounds. ... Computational methods have enormously increased the rational approach to drug design in recent years, building on the molecular ... Designing multi-target drugs for complex diseases. The transition from the single-target to the multi-target concept for drug ...
  https://clintransmed.springeropen.com/articles/10.1186/s40169-017-0181-2
*  Ostermeier, Marc | Johns Hopkins Whiting School of Engineering
Chemical Biology and Drug Design. 83(3).. *Firnberg E, Labonte JW, Gray JJ, Ostermeier M (2014). A comprehensive, high- ... "Rational design of protein switches based on the ensemble model of allostery", American Chemical Society National Meeting. ... "Recent switch designs", Designing Biomolecular Switches. Telluride, CO. August 8, 2014. *"A comprehensive, high-resolution map ... J Immunol Methods. 237(1-2). 175-86.. *Ostermeier M, Nixon AE, Benkovic SJ (1999). Incremental truncation as a strategy in the ...
  https://engineering.jhu.edu/faculty/ostermeier-marc/
*  Jamboree/Project Abstract/Team Abstracts - 2010.igem.org
... and direct method of drug delivery and antigen tracking. We have designed a method for visualizing the interactions of ... To achieve the AND gate we will be using the CRE gene in combination with loxP sites. By placing the loxP sites appropriately, ... inexpensive method to remove oil from aqueous environments? The TU Delft iGEM 2010 team spent their summer designing a system ... for the rational construction of synthetic transcription factors. The domains respond only to predefined lipids and selectively ...
  http://2010.igem.org/wiki/index.php?title=Jamboree/Project_Abstract/Team_Abstracts&diff=208669&oldid=78270
*  Drug design - Wikipedia
Rational drug discoveryEdit. In contrast to traditional methods of drug discovery (known as forward pharmacology), which rely ... Structure-based drug design attempts to use the structure of proteins as a basis for designing new ligands by applying the ... Leis S, Schneider S, Zacharias M (2010). "In silico prediction of binding sites on proteins". Current Medicinal Chemistry. 17 ( ... Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new ...
  https://en.m.wikipedia.org/wiki/Drug_design
*  Protocols and Video Articles Authored by Shuming Nie
Jul, 2008 , Pubmed ID: 18570415 We report the rational design of multifunctional nanoparticles for short-interfering RNA (siRNA ... Current RSV detection methods are limited by sensitivity and/or time required for detection. In this study, we show that ... To develop novel drug delivery systems with enhanced efficacy and minimized adverse effects, we synthesized a ternary conjugate ... Like hemopoietic cell homing, levels of stromal cell-derived factor-1 are high at sites of breast cancer metastasis including ...
  https://www.jove.com/author/Shuming_Nie
*  Biotechnology - Wikipedia
By doing so, pharmacogenomics aims to develop rational means to optimize drug therapy, with respect to the patients' genotype, ... An example is the designing of an organism to produce a useful chemical. Another example is the using of enzymes as industrial ... Currently available transgenic crops and foods derived from them have been judged safe to eat and the methods used to test ... The first genetically engineered products were medicines designed to treat human diseases. To cite one example, in 1978 ...
  https://en.wikipedia.org/wiki/Biotechnology
*  Methods and compositions related to wrapping of dehydrons - The Board of Regents of the University of Texas System
This application describes a novel technology in drug discovery and drug-based imaging/detection: the wrapping technology. This ... The wrapping technology described herein is a novel form of rational drug design for avoiding side effects in drug therapy and ... Thus, the activating phosphorylation of C-Kit at sites Tyr703 and Tyr721 in ST882 cells is inhibited by WBZ-4 in a dose- ... The goal is to reduce and control cross reactivity by re-designing the inhibitor according to the data gathered, turning it ...
  http://www.freepatentsonline.com/8466154.html
*  publications - Moltable
NMR and MS methods are employed in fragment-based drug discovery approaches to identify compounds from a high-throughput screen ... Despite this novelty, GP has not been widely exploited in drug design. Accordingly, in this study we propose a GP based ... Variable sites on scaffolds with attachment sites on building blocks participate in a combinatorial virtual reaction to ... Designing a better molecule is just one aspect of computational research, but getting it synthesized for biological evaluation ...
  http://moltable.ncl.res.in/web/guest/publications
*  2011 to 2015 Question Papers PAPER III ADVANCED MEDICINAL CHEMISTRY Dr. MGR University - University Question Papers
Give the mode of action and synthesis of one drug form two different classes.. 2. a) Explain the rational design of covalently ... Explain with examples the different aspects of prodrugs in drug designing.. b) Discuss in detail about different approaches in ... 6. Monte Carlo method of conformational Analysis.. 7. Interferons.. 8. Explain how proton pump inhibitors act.. *******. Dr. ... 4. Write briefly on known receptors sites on molecular modeling.. 5. Discuss the role of chirality in the receptors and ...
  https://www.indianuniversityquestionpapers.com/2016/01/2011-to-2015-question-papers-paper-iii.html
*  Protocols and Video Articles Authored by Yen Wei (Translated to German)
Such FNPs may open up new perspectives for designing a new class of detection system for monitoring drug release. ... was designed and fabricated by layer-by-layer (LbL) assembly method. Compared with the nongrafted PEMs, the tetreaniline- ... It is hypothesized that the number of negatively charged sites on PSS, which can be affected by the acidity of the precursor ... The rational manipulation of rich noncovalent interactions and fluorophore packing style promotes an in-depth understanding ...
  https://www.jove.com/author/Yen_Wei?language=German
*  Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New...
The above studies of the R-subunit provide insights into "rational" drug design. First it is important to obtain structural ... MATERIALS AND METHODS. Materials BL21 (DE3) E. coli strains were purchased from Novagen (Madison, WI). TALON metal affinity ... Electrostatic sites on the type Ialpha regulatory subunit. J. Biol. Chem. 272, 16343-16350 [PubMed] ... Our study provides valuable insights into the allosteric regulation of PKA by cAMP and has important implications for designing ...
  http://pubmedcentralcanada.ca/pmcc/articles/PMC3047156/
*  Medicinal Chemistry: An Introduction, 2nd Edition | Pharmaceutical & Medicinal Chemistry | Chemistry | Subjects | Wiley
This is followed by chapters that discuss the principle methods used in drug design and the isolation of drugs and possible ... 8.7.3 Citalopram, an antagonist antidepressant discovered by a rational approach 282 ... 15.3.4 Methods of assessing the purity of stereoisomers 547. 15.4 Designing organic syntheses 548 ... 9.3 Active sites and catalytic action 295. 9.3.1 Allosteric activation 297 ...
  https://www.wiley.com/en-us/Medicinal+Chemistry%3A+An+Introduction%2C+2nd+Edition-p-9781119965428