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  • ligand
  • We addressed this need with polarization-modulated ellipsometric scanning microscopes, called oblique-incidence reflectivity difference (OI-RD). Label-free ligand screening and kinetics measurement are performed simultaneously on small-molecule microarrays printed on relatively inexpensive isocyanate-functionalized glass slides. (spie.org)
  • A homogeneous method for screening DNA-encoded libraries has recently been developed which uses water-in-oil emulsion technology to isolate, count and identify individual ligand-target complexes in a single-tube approach. (wikipedia.org)
  • Another approach to ligand-based virtual screening is to use 2D chemical similarity analysis methods to scan a database of molecules against one or more active ligand structure. (wikipedia.org)
  • A popular approach to ligand-based virtual screening is based on searching molecules with shape similar to that of known actives, as such molecules will fit the target's binding site and hence will be likely to bind the target. (wikipedia.org)
  • phenotype
  • In forward chemogenomics, which is also known as classical chemogenomics, a particular phenotype is studied and small compound interacting with this function are identified. (wikipedia.org)
  • Once the modulators have been identified, the phenotype induced by the molecule is analyzed in a test on cells or on whole organisms. (wikipedia.org)
  • neurons
  • One of these molecules, discovered in reduced levels in Alzheimer's brain biopsies compared to age-matched controls, was found to induce neuronal differentiation as seen by the formation of networks of axon bundles and the expression of markers specific to adult human differentiated neurons. (thefreelibrary.com)
  • affinity
  • Because of distinct structural differences between MDM2 and MDMX in their p53-binding pockets ( 24 ⇓ - 26 ), small molecules optimized for MDM2 have shown very low affinity for MDMX ( 27 ). (pnas.org)
  • In these studies, the performance of a VS technique is measured by its ability to retrieve a small set of previously known molecules with affinity to the target of interest (active molecules or just actives) from a library containing a much higher proportion of assumed inactives or decoys. (wikipedia.org)
  • selective
  • For example, the first potent and selective small-molecule MDM2 antagonist, nutlin-3a, has ∼400-fold lower potency against MDMX than MDM2 ( 28 ). (pnas.org)
  • citation needed] His thesis work focused on the generation and characterization of 1,1-diazenes and the generation of sequence-selective polypyrrole DNA binding/cleaving molecules. (wikipedia.org)
  • compound
  • Practical questions including cost, compound management, screening sophistication, and assay objective also play a significant role in the choice of library composition. (currentprotocols.com)
  • The scheme has been launched by MRC Technology to provide academics with a high quality compound library for screening, to reduce academic spend on libraries less suited to screening, and to encourage groups to tap into MRC Technology's drug discovery expertise for research programmes. (technologynetworks.com)
  • MRC Technology's compound library has been built and curated by its medicinal chemistry and computational chemistry scientists. (technologynetworks.com)
  • Bryans continued, "By offering access to our compound library with no fees attached, our aim is to stimulate drug discovery within the academic field by enabling these laboratories to carry out high quality, medium throughput screens and to potentially further develop any hits in collaboration with MRCT. (technologynetworks.com)
  • A means of handling the input from large compound libraries is needed. (wikipedia.org)
  • structures
  • Related research topics include: Unstructured data Information retrieval Information extraction Structured data mining and mining of structured data Database mining Graph mining Molecule mining Sequence mining Tree mining Digital libraries The in silico representation of chemical structures uses specialized formats such as the XML-based Chemical Markup Language or SMILES. (wikipedia.org)
  • Chemical genetic screens are performed using libraries of small molecules that have known activities or simply diverse chemical structures. (wikipedia.org)
  • organisms
  • A variety of organisms including bacteria, fungi, and plants, produce small molecule secondary metabolites also known as natural products, which play a role in cell signaling, pigmentation and in defense against predation. (wikipedia.org)
  • sequence
  • We complete here a library of 27 hairpin Py-Im polyamides that bind 7-base-pair sequences of the general form 5'-WWGNNNW-3' (where W = A or T, N = W, G, or C). A table of binding affinities and sequence contexts for this completed 27-member library has been assembled for the benefit of the chemical biology community interested in molecular control of transcription. (caltech.edu)
  • relatively
  • The benzene molecule is shown to interact relatively more strongly with the (01 2) surface via cation-π interactions between the π-electrons of benzene ring and the surface Fe d-orbitals than with the (0001) where van der Waals interactions are found to play important role in stabilizing the molecule at the surface. (bl.uk)
  • Our synthetic approach was designed to emulate divergent biosynthetic strategies used in nature by converting a small number of relatively simple, acyclic starting materials into a diverse array of polycyclic scaffolds ( 13 ). (pnas.org)
  • assay
  • We have seen an increase in assay throughput within academic research institutes, due to the availability of affordable small-scale robotics," said Justin Bryans, Director of Drug Discovery at MRC Technology. (technologynetworks.com)
  • An assay plate is simply a copy of a stock plate, created by pipetting a small amount of liquid (often measured in nanoliters) from the wells of a stock plate to the corresponding wells of a completely empty plate. (wikipedia.org)
  • stimulate
  • In another study in 2014, researchers were in search of molecules to stimulate the proliferation of long-term hematopoietic stem cells (LT-HSC). (wikipedia.org)
  • Wiley Online Library
  • Wiley Online Library is migrating to a new platform powered by Atypon, the leading provider of scholarly publishing platforms. (wiley.com)
  • The new Wiley Online Library will be migrated over the weekend of March 17 and 18.You should not experience any issues or loss of access during this time. (wiley.com)
  • development
  • Samaritan Pharmaceuticals Inc. (OTCBB:SPHC) through Samaritan Research Labs, Georgetown University, today announced that it has identified a small molecule drug that induces human neuron differentiation from precursor cells -- that is, they transform cells from embryonic early-stage development, to an adult state. (thefreelibrary.com)
  • Although this molecule is early in its development, if this discovery becomes a successful drug, it could give incredible, long-sought-after hope for patients who suffer with related diseases. (thefreelibrary.com)
  • It now focuses its activities on its bio-pharma business verticals that include APIs, biologicals and proprietary molecules both commercialised and under development. (wikipedia.org)
  • Along with Richard Lerner, he was one of the critical players in the development of phage-display libraries, and surface-library chips. (wikipedia.org)
  • simultaneously
  • Researchers at The Scripps Research Institute (TSRI) have developed a quick and easy way to simultaneously modify dozens of drugs or molecules to improve their disease-fighting properties. (technologynetworks.com)
  • amino
  • This is accomplished by screening libraries of mutant amino acyl tRNA synthetases for mutants which charge nonsense-codon tRNAs with the desired unnatural amino acid. (wikipedia.org)
  • known
  • A common method to construct a targeted chemical library is to include known ligands of at least one and preferably several members of the target family. (wikipedia.org)
  • Here, the spectra from the library are compared to the new spectra and if a match is found, the unknown spectra can be assigned the identity of the known peptide in the library. (wikipedia.org)
  • Under her leadership Children's Cancer Institute, now located in the UNSW Lowy Cancer Research Centre, has tripled in size and grown from a little known group to become the largest children's cancer research facility in the region. (wikipedia.org)
  • natural
  • Principal component analysis of the structural and physicochemical properties of these molecules confirmed that they access regions of chemical space that overlap with bona fide natural products and are distinct from areas addressed by conventional synthetic drugs and drug-like molecules. (pnas.org)
  • Toward this end, a variety of natural product-based libraries have been synthesized, with promising early results ( 3 ). (pnas.org)
  • PCA of structural and physicochemical properties indicates that these scaffolds sample a distinct region of chemical space compared to drugs and drug-like libraries, overlapping with polycyclic alkaloid and terpenoid natural products. (pnas.org)
  • More commonly, a diverse library of small molecules or natural products is screened. (wikipedia.org)
  • found
  • Several small molecules were found to constitute a promising series of functional antagonists of CXCR3 that could be developed into new therapeutic agents for the treatment of inflammatory disorders such as rheumatoid arthritis, inflammatory bowel disease, multiple sclerosis and diabetes. (wikipedia.org)
  • shown
  • It has also been shown that fibroblasts are capable of secreting these BPAs, however only respond to regulatory molecule such as interleukin-1. (wikipedia.org)
  • properties
  • These results indicate that linkers and functional R groups on the tails of hairpin polyamide conjugates have recognition properties that should be considered in the design of these molecules to target DNA binding sites. (caltech.edu)
  • This thesis presents a comprehensive computational study of the bulk and surface properties of two major iron-bearing minerals: hematite (α-Fe2O3) and mackinawite (tetragonal FeS), and subsequently unravels the interactions of a number of environmentally important molecules with the low-Miller index surfaces of these iron-bearing minerals using a state-of-the-art methodology based on the density functional theory (DFT) techniques. (bl.uk)
  • These libraries can be validated initially by evaluation of their structural and physicochemical properties using principal component analysis (PCA) to determine the regions of chemical space that are accessed. (pnas.org)