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  • Lead Optimization

    Lead Optimization

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    Lead optimization is a diversified operation in drug discovery, in which the chemical structures of compounds or biologics are modified to improve target’s specificity, selectivity, pharmacodynamics, pharmacokinetic and toxicological properties to ge...

  • Chemical Resynthesis

    Chemical Resynthesis

    Chemical Methods Shirley (New York) January 10, 2019 Check with publisher

    The discovery and development of a new drug entity (NDE) is a complex, costly and time-consuming process, in which chemical resynthesize is an essential procedure after library screening. If one of the substances shows enough activity to be further i...

  • Computer-aided drug design

    Computer-aided drug design

    Data Management Shirley (New York) January 10, 2019 Check with publisher

    Computer-aided drug design (CADD) is a widely used technology using computational tools and resources for the storage, management, analysis and modeling of compounds. It relies on digital repositories for study of designing compounds with physicochem...

  • Compound Docking

    Compound Docking

    Cell Biology & Microbiology Shirley (New York) January 10, 2019 Check with publisher

    Compound docking is a computer simulation procedure to predict the conformation of a receptor-ligand complex. Only when the structure of a target and its active or binding site are available, high-throughput docking is chiefly used as a hit identific...

  • Virtual Screening

    Virtual Screening

    Chemical Methods Shirley (New York) January 10, 2019 Check with publisher

    Virtual screening (VS) is a computational technique used in drug discovery to search libraries of small molecules in order to identify structures that are most likely to bind to a drug target, typically a protein receptor or enzyme. In essence, the b...

  • Activity Prediction

    Activity Prediction

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    In drug discovery, researchers are not only interested in detecting active molecules, but also in determining the biological activity observed in a particular molecule. At the same time, it is useful to identify the most representative subset of mole...

  • Quantitative structure–activity relationship (QSAR)

    Quantitative structure–activity relationship (QSAR)

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    Quantitative structure–activity relationship (QSAR) is a method to build computational models, which attempts to find a significant correlation in statistics between structure and function. In drug design, structure refers to the molecular property o...

  • Physicochemical Prediction

    Physicochemical Prediction

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    Physicochemical properties are key factors in quantitative structure–property relationship (QSPR) studies in controlling the interactions between xenobiotics and living organisms. Computational approaches for toxicity prediction therefore generally r...

  • Custom Synthesis

    Custom Synthesis

    Chemical Methods Shirley (New York) January 10, 2019 Check with publisher

    Synthesis is a series of chemical reactions carried out for the purpose of obtaining one or more organic molecules. As an integral part of drug discovery or other chemical industries, chemical synthesis plays an important role in the screening of num...

  • API Synthesis

    API Synthesis

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    Active Pharmaceutical Ingredient (API) is defined by U.S. Food & Drug Administration as: any substance or mixture of substances intended to be used as the active ingredient in the manufacture of a drug (medicinal) product. Such substances are int...

  • Building Block Synthesis

    Building Block Synthesis

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    During the last decades, the synthesis of building blocks has been explored by numerous groups, which are used in pharmaceutical products and other biologically active substances. Building blocks are important intermediates for many drugs and have ma...

  • Intermediates Synthesis

    Intermediates Synthesis

    Drug Development Shirley (New York) January 10, 2019 Check with publisher

    Owing to chirality is a pivotal factor in the safety and efficacy of many drug products, the production of single enantiomers of drug intermediates has become increasingly important in the pharmaceuticals industry. It has been seen that the increasin...