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  • small molecules
  • A select offering of Pharma-Developed bioactive small molecules, both approved therapeutics/drug candidates and tool compounds, is tailored for potential use in Late Stage Functionalization. (sigmaaldrich.com)
  • Screening libraries continue to evolve as researchers gain a greater appreciation of the suitability of small molecules for specific biological targets, processes, and environments. (currentprotocols.com)
  • library
  • The decision surrounding the makeup of any given small molecule library is informed by a multitude of variables, and opinions vary on best practices. (currentprotocols.com)
  • This overview attempts to offer advice to all organizations engaged in small molecule screening based upon current best practices and theoretical considerations in library selection and acquisition. (currentprotocols.com)
  • drug
  • The selection, acquisition, and use of high‐quality small molecule libraries for screening is an essential aspect of drug discovery and chemical biology programs. (currentprotocols.com)
  • parent molecule
  • More precisely, the spatial distribution of protons in CH5+ is many times broader than its parent molecule CH4, methane. (wikipedia.org)
  • The aim was to generate new binders capable of specific binding to different target proteins with almost good affinity, while retaining the favorable folding and stability properties, and ease of bacterial expression of the parent molecule. (wikipedia.org)
  • electrons
  • A hypervalent molecule (the phenomenon is sometimes colloquially known as expanded octet) is a molecule that contains one or more main group elements apparently bearing more than eight electrons in their valence shells. (wikipedia.org)
  • For hypercoordinated molecules with electronegative ligands such as PF5 it has been demonstrated that the ligands can pull away enough electron density from the central atom so that its net content is again 8 electrons or fewer. (wikipedia.org)
  • proteins
  • The process they applied - single molecule technique (SMT) - is required to measure the shape of proteins that are as wide as a thousandth of a human hair and far too small to be seen with a conventional microscope. (telegraphindia.com)
  • Researchers have manufactured microscopic versions of the cocoons spun by silkworms, which could be used to store sensitive proteins and other molecules for a wide range of uses. (cam.ac.uk)
  • Chapters in Single Molecule Techniques: Methods and Protocols, Second Edition detail the most widely used single-molecule techniques, such as DNA, DNA-binding proteins, motor proteins, and are becoming commonplace in molecular biophysics, biochemistry, and molecular and cell biology. (springer.com)
  • Larger structures such as nucleic acids and proteins, and many polysaccharides are not small molecules, although their constituent monomers (ribo- or deoxyribonucleotides, amino acids, and monosaccharides, respectively) are often considered small molecules. (wikipedia.org)
  • Most pharmaceuticals are small molecules, although some drugs can be proteins (e.g., insulin and other biologic medical products). (wikipedia.org)
  • Affibody molecules are small, robust proteins engineered to bind to a large number of target proteins or peptides with high affinity, imitating monoclonal antibodies, and are therefore a member of the family of antibody mimetics. (wikipedia.org)
  • The original Affibody protein scaffold was designed based on the Z domain (the immunoglobulin G binding domain) of protein A. These molecules are the newly developed class of scaffold proteins derived from the randomization of 13 amino acids of located in two alpha-helices involved in the binding activity of the parent protein domain. (wikipedia.org)
  • Head-to-tail fusions of Affibody molecules of the same specificity have proven to give avidity effects in target binding, and head-to-tail fusion of Affibody molecules of different specificities makes it possible to get bi- or multi-specific affinity proteins. (wikipedia.org)
  • These proteins are characterized by high rate of extravasation and rapid clearance of non-bound tracer from the circulation, as well as other nonspecific compartments, when compared to antibodies and their fragments Affibody molecules can be used for protein purification, enzyme inhibition, research reagents for protein capture and detection, diagnostic imaging and targeted therapy. (wikipedia.org)
  • atom
  • Both NBMOs of molecules with non-disjoint characteristics such as trimethylenemethane have electron density at the same atom. (wikipedia.org)
  • In contrast, the NBMOs of the molecules with disjoint characteristics such as tetramethyleneethane can be described without having electron density at the same atom. (wikipedia.org)
  • Ethers can form hydrogen bonds to water, since the oxygen atom is attracted to the partially-positive hydrogens in water molecules, making them more soluble in water than alkanes. (angelo.edu)
  • protein
  • Previously, using single molecule force spectroscopy techniques (like AFM force spectroscopy), we could monitor a single protein for a few seconds. (telegraphindia.com)
  • New research establishes nature of malfunction in protein molecules that can lead to onset of dementia. (cam.ac.uk)
  • Enzymes and receptors are often activated or inhibited by endogenous protein, but can be also inhibited by endogenous or exogenous small molecule inhibitors or activators, which can bind to the active site or on the allosteric site. (wikipedia.org)
  • As with other antibody mimetics, the idea behind developing the Affibody molecule was to apply a combinatorial protein engineering approach on a small and robust protein scaffold. (wikipedia.org)
  • Specific Affibody molecules binding a desired target protein can be "fished out" from pools (libraries) containing billions of different variants, using phage display. (wikipedia.org)
  • Affibody molecules are based on a three-helix bundle domain, which can be expressed in soluble and proteolytically stable forms in various host cells on its own or via fusion with other protein partners. (wikipedia.org)
  • nitrogen
  • The attempt to actually prepare hypervalent organic molecules began with Hermann Staudinger and Georg Wittig in the first half of the twentieth century, who sought to challenge the extant valence theory and successfully prepare nitrogen and phosphorus-centered hypervalent molecules. (wikipedia.org)
  • reactive
  • However, as these molecules are quite reactive and most of them are easily decomposed or polymerized at room temperature, strategies for stabilization are needed for their practical use. (wikipedia.org)
  • Synthesis and observation of these reactive molecules are generally accomplished by matrix-isolation methods. (wikipedia.org)
  • gaseous
  • In the kinetic theory of gases , the term molecule is often used for any gaseous particle regardless of its composition. (princeton.edu)
  • phosphorus
  • Phosphorus pentachloride (PCl5), sulfur hexafluoride (SF6), chlorine trifluoride (ClF3), the chlorite (ClO2−) ion, and the triiodide (I3−) ion are examples of hypervalent molecules. (wikipedia.org)
  • The prototypical fluxional molecule is phosphorus pentafluoride. (wikipedia.org)
  • Famous examples of such molecules are iron pentacarbonyl (Fe(CO)5) and phosphorus pentafluoride (PF5). (wikipedia.org)
  • typically
  • Pentacoordinate molecules of trigonal pyramidal geometry typically exhibit a particular kind of low energy fluxional behavior called Berry pseudorotation. (wikipedia.org)
  • Molecule editors typically support reading and writing at least one file format or line notation. (wikipedia.org)
  • Latin
  • According to Merriam-Webster and the Online Etymology Dictionary , the word "molecule" derives from the Latin " moles " or small unit of mass. (wikipedia.org)
  • observation
  • A somewhat lower molecular weight cutoff of 500 daltons (as part of the "rule of five") has been recommended for oral small molecule drug candidates based on the observation that clinical attrition rates are significantly reduced if the molecular weight is kept below this limit. (wikipedia.org)
  • clusters
  • In complete analogy, clusters of metal nanoparticles - which support confined surface plasmon states - have been termed 'plasmonic molecules. (wikipedia.org)
  • compounds
  • Several specific classes of hypervalent molecules exist: Hypervalent iodine compounds are useful reagents in organic chemistry (e.g. (wikipedia.org)
  • Because virtually all molecules are fluxional in some respects, e.g. bond rotations in most organic compounds, the term fluxional depends on the context and the method used to assess the dynamics. (wikipedia.org)
  • MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure). (wikipedia.org)
  • small
  • Avantor is a supplier to a majority of the largest and most prolific small molecule manufacturers in the world. (jtbaker.com)
  • Within the fields of molecular biology and pharmacology, a small molecule is a low molecular weight ( (wikipedia.org)
  • Most drugs are small molecules. (wikipedia.org)
  • Small molecules may be used as research tools to probe biological function as well as leads in the development of new therapeutic agents. (wikipedia.org)
  • Pharmacology usually restricts the term "small molecule" to molecules that bind specific biological macromolecules and acts as an effector, altering the activity or function of the target. (wikipedia.org)
  • Small molecules can have a variety of biological functions or applications, serving as cell signaling molecules, drugs in medicine, pesticides in farming, and in many other roles. (wikipedia.org)
  • The upper molecular-weight limit for a small molecule is approximately 900 daltons, which allows for the possibility to rapidly diffuse across cell membranes so that it can reach intracellular sites of action. (wikipedia.org)
  • Small molecules are more likely to be absorbed, although some of them are only absorbed after oral administration if given as prodrugs. (wikipedia.org)
  • One advantage small molecule drugs (SMDs) have over "large molecule" biologics is that many small molecules can be taken orally whereas biologics generally require injection or another parenteral administration. (wikipedia.org)
  • 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)
  • There is also interest in creating small molecule artificial transcription factors to regulate gene expression, examples include wrenchnolol (a wrench shaped molecule). (wikipedia.org)
  • Small-molecule anti-genomic therapeutics, or SMAT, refers to a biodefense technology that targets DNA signatures found in many biological warfare agents. (wikipedia.org)
  • doi:10.1002/qsar.200510009 S. A. Rahman, M. Bashton, G. L. Holliday, R. Schrader and J. M. Thornton, Small Molecule Subgraph Detector (SMSD) toolkit, Journal of Cheminformatics 2009, 1:12. (wikipedia.org)
  • Combination of small size, ease of engineering, high affinity and specificity makes Affibody molecules suitable alternative as monoclonal antibodies for both molecular imaging and therapeutical applications, especially for the receptor-overexpressing tumors. (wikipedia.org)
  • Another example is a molecular crystal: Each molecular unit has a preferred orientation due to interactions with the nearby molecules, but they have librational modes corresponding to small rotations about this preferred orientation. (wikipedia.org)
  • chemical bonds
  • A large number of familiar solid substances, however, including most of the minerals that make up the crust, mantle, and core of the Earth itself, contain many chemical bonds , but are not made of identifiable molecules. (princeton.edu)
  • Molecular chemistry deals with the laws governing the interaction between molecules that results in the formation and breakage of chemical bonds , while molecular physics deals with the laws governing their structure and properties. (wikipedia.org)
  • example
  • Consistent with this alternative view is the finding that hypercoordinated molecules based on fluorine ligands, for example PF5 do not have hydride counterparts e.g. phosphorane PH5 which is unknown. (wikipedia.org)
  • A classic example of a fluxional molecule is dimethylformamide. (wikipedia.org)
  • For example, in liquid water, any given water molecule is attracted to neighboring molecules, so that it has a preferred orientation and cannot freely rotate. (wikipedia.org)
  • term
  • The concept itself has been criticized by Ronald Gillespie who, based on an analysis of electron localization functions, wrote in 2002 that "as there is no fundamental difference between the bonds in hypervalent and non-hypervalent (Lewis octet) molecules there is no reason to continue to use the term hypervalent. (wikipedia.org)
  • interactions
  • Since non-Kekulé molecules have two or more formal radical centers, their spin-spin interactions can cause electrical conductivity or ferromagnetism (molecule-based magnets), and applications to functional materials are expected. (wikipedia.org)
  • Dynamics
  • Temperature dependent changes in the NMR spectra result from dynamics associated with the fluxional molecules when those dynamics proceed at rates comparable to the frequency differences observed by NMR. (wikipedia.org)
  • Editors
  • Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. (wikipedia.org)
  • Database molecular editors such as Leatherface, RECAP, and Molecule Slicer allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user. (wikipedia.org)
  • Files generated by molecule editors can be displayed by molecular graphics tools. (wikipedia.org)
  • clinical
  • The second generation of Affibody molecule, ABY-025, binds selectively to HER2 receptors with picomolar affinity.These Affibody molecules are in clinical development for tumor diagnosis. (wikipedia.org)
  • examples
  • Other examples of non-Kekulé molecules are the biradicaloid quinodimethanes, that have a six-membered ring with methylene substituents. (wikipedia.org)
  • electron
  • Lewis maintained the importance of the two-center two-electron (2c-2e) bond in describing hypervalence, thus using expanded octets to account for such molecules. (wikipedia.org)
  • type
  • With such MOs, the destabilization factor by the Coulomb repulsion becomes much smaller than with non-disjoint type molecules, and therefore the relative stability of the singlet ground state to the triplet ground state will be nearly equal, or even reversed because of exchange interaction. (wikipedia.org)