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  • Why better databases are key to chemistry’s digital future
    The Royal Society of Chemistry has announced that its near 180-year old archive of research insights have been made available for Text and Data Mining projects, but why is this important? Richard Kidd, Head of Chemistry Data at the Royal Society of Chemistry explores the significance.
  • The vanished mirror image
    Photochemical deracemization of chiral compounds achieved. Enantiomeric molecules resemble each other like right and left hands. Both variants normally arise in chemical reactions. But frequently only one of the two forms is effectual in biology and medicine. Hitherto, completely converting this mixture into the desired enantiomer was deemed impossible. Deploying a photochemical method, a team from the Technical University of Munich (TUM) has now achieved this feat.
  • Elsevier launches new Reaxys Medicinal Chemistry to facilitate better connections between biological and chemical data
    Highly intuitive search with the most advanced indexing and extraction of experimental data available will accelerate lead optimization in early drug discovery
  • Attracting and Training the Next Generation of Medicinal Chemists
    By Steve Carney. Since I’ve been the Editor of Drug Discovery Today, I have made the conscious effort to include articles of interest to medicinal chemists in the Pharmaceutical and Biotech industries. Not least because Medicinal Chemists make up (still) a very significant proportion of the Pharma discovery community, but also because their efforts produce the lifeblood of the Pharma pipelines, although marginally less now with the advent and success of biological therapies.
  • TSRI Researchers Develop Versatile New Way to Build Molecules
    Chemists at The Scripps Research Institute (TSRI) have devised a new and widely applicable technique for building potential drug molecules and other organic compounds.
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  • The Promise of Epigenetics in Early Stage Drug Discovery
    Epigenetic targets are exciting to drug discovery scientists because they hold great potential across a wide spectrum of therapeutic areas. The field of epigenetics focuses on the investigation of enzymes that alter gene expression through modification of their target substrates, usually through the addition or removal of methyl or acetyl groups. High-throughput assays to identify agents capable of modifying the action of such enzyme targets has, in the past, proven to be challenging due to the relatively small molecular alterations in addition to the possibility of sequential modifications, leading to multiple end products. As such, high-throughput bioassays that allow the direct, concurrent quantification of multiple modification states are attractive. The RapidFire platform enables high-throughput mass spectrometric analysis of native molecules from in vitro reactions by performing on-line desalting in seconds, as opposed to HPLC, which requires minutes. Moreover, the RapidFire system can be connected to any mass spectrometer providing unparalleled versatility in reaction detection.
  • Integrated Quant / Qual for In-vivo Discovery Bioanalysis using Hybrid Quadrupole-Time-of-Flight Mass Spectrometry
    Ultra high performance liquid chromatography (UHPLC) coupled with orthogonal acceleration hybrid quadrupole-time-of-flight (QqTOF) mass spectrometry is an emerging technique offering new strategies for the efficient screening of new chemical entities (NCE) and related molecules at the early discovery stage within the pharmaceutical industry.
  • Drug Delivery: enabling technology for discovery and development
    The integration of pharmacodynamic and pharmacokinetic parameters in non clinical pharmacology studies is a key aspect in drug discovery for efficacy and safety assessment, in the particular for the translation from the non clinical to the clinical field. Modeling the profile of plasma exposure achieved with the intended therapeutic route often requires the use of intravenous infusion. In addition, in most cases infusion parameters (infusion rate, volume, duration and sequences) need to be customized to achieve the appropriate pattern of plasma drug exposure. When pharmacodynamic parameters are recorded by telemetry, the use of implantable pumps rather than external pumps is necessary to preserve the improvement in physiological data recording offered by telemetry.
  • Part 2: How has HR-MS technology fundamentally changed the way we study drug biotransformation and disposition?
    AB SCIEX is proud to present the 2nd installment of a Global 4-Part Live Webinar Series exploring novel and dynamic workflows for Metabolite Identification & Drug Metabolism solutions as it pertains to the 4 main stages of the drug discovery and development paradigm, Lead Discovery, Late Stage Discovery, Early Development and Late Stage Development. Part 2 of this webinar series will focus on how HRMS technology has fundamentally changed the way metabolite biotransformations are investigated in Lead Discovery.
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  • Sprinkling the pixie dust: reflections on innovation and innovators in medicinal chemistry and drug discovery
    Practical suggestions for enhancing innovation by managers and bench scientists in medicinal chemistry and drug discovery are discussed: ‘sprinkling pixie dust’
  • Pharmaceutical applications of cyclotides
    Cyclotides are cyclic peptides, present in several plant families, that show diverse biological properties. Structurally, cyclotides share a distinctive head-to-tail circular knotted topology of three disulfide bonds. This framework provides cyclotides with extraordinary resistance to thermal and chemical denaturation. There is increasing interest in the therapeutic potential of cyclotides, which combine several promising pharmaceutical properties, including binding affinity, target selectivity, and low toxicity towards healthy mammalian cells. Recently, cyclotides have been reported to be orally bioavailable and have proved to be amenable to modifications. Here, we provide an overview of the structure, properties, and pharmaceutical applications of cyclotides.
  • Reaching for the bright StARs (Structure-Activity Relationships) in Chemical Space
    StAR/SmARt is at the interface of chemical space, and activity landscape modeling. • Data visualization and its interpretation depends on molecular representation. • Methods for SAR are accessible in stand-alone software and web-based applications. • Approaches for SAR visualization can be used to analyze virtual screening results.
  • Allosteric inhibition of HIF-2a as a novel therapy for clear cell renal cell carcinoma
    A brief discussion of the role of HIF-2a in ccRCC and provide insight into recent advances in the discovery, development, and mode of action of HIF-2a allosteric inhibitors.
  • The emerging role of copper 64 radiopharmaceuticals as cancer theranostics
    Copper radioisotopes are emerging as potent tools for developing unprecedented clinical approaches for cancer treatment by exploiting the intrinsic biological properties of ionic copper and the richness of copper chemistry.
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