torchV10 Brings the Next Generation of Molecule Design to the Desktop

24 Oct 2012

Product news

Cresset, innovative provider of software and services, announces the release of torchV10, a complete desktop molecular design and 3D SAR tool for medicinal chemists.

torchV10 uses molecular fields to show the binding patterns of your compounds. This protein’s eye view gives clear insights into the causes of biological activity.

Working with torchV10, medicinal chemists can see how to optimize the shape and electrostatic properties of their series, and rapidly identify the best next molecule to synthesize.

Cresset CEO, Dr Robert Scoffin said, “We believe that molecular fields are the most intuitive way of assessing biological activity. We would like every chemist to access the power of fields so that they can truly understand the mechanisms by which their leads interact with targets. torchV10 is such an easy to use desktop tool that it brings these insights within the reach of every medicinal chemist.”

torchV10 is a powerful molecule design and 3D SAR tool for medicinal chemists. Use it to take leaps in compound design while maintaining or improving biological activity. Compare actives and inactives from multiple series, gathering the best from each. Employ this knowledge in the next design iteration using the in-built molecular editor for immediate feedback.

torchV10 gives you the ability to relate to molecules by biological activity. Molecules from the same or different series are compared as the protein sees them, enabling you to:

• Perfect the design of new lead compounds, exploring a range of lead optimization ideas.
• Get the most from your lab time by prioritizing compounds for synthesis.
• Design focused libraries for synthesis or initial screening.
• View ADME profiles and off-target activity prediction on all designs.

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Data AnalysisData analysis hardware and software is available to make data processing straight-forward yet powerful. Data software can be used for math and stats, technical graphing and image analysis. In addition, software is available for specific data analysis of electrophoresis, densitometry, ELISA and DNA sequencing.Data MiningData mining is an important process for extracting information, patterns and trends from data. Data mining software, databases, reference materials and storage packages are available to process lab data.ADME-ToxicologyADME-toxicology (ADME-Tox) studies are used in pharmacology and pharmacokinetics to assess the activity/toxicity of drugs <i>in vivo</i> or <i>in vitro</i>. Find bioassays for absorption, distribution, metabolism, and excretion of drug molecules including cytotoxicity, transporter/permeability, metabolism and activity assays as well as hepatocytes and cell lines for ADME. Find the best ADME-toxicology products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Molecular Recognition SoftwareMolecular recognition software is widely used to analyze DNA, RNA, proteins and chemicals. The software can be useful for graphical viewing, comparative analyses, high-throughput screening, genomics, proteomics and phylogenetics. Molecular recognition software uses bioinformatics tools and analyses such as BLAST searches and generates structural predictions, 3D structures and sequencing information.Medicinal ChemistryMedicinal chemistry is a broad discipline encompassing the design, identification, synthesis and development of chemicals in drug discovery. It includes a number of techniques covering structural biology, synthetic chemistry and molecular biology. Technologies used in medicinal chemistry include ADME, lab-on-a-chip, high content screening and assay assembly.Drug DevelopmentDrug development refers to the process of bringing a new drug to market.Molecular DesignProtein BiologyThe analysis of protein expression, identity and function is vital for many areas of life science research and drug discovery. Some of the most commonly used techniques in protein analysis include Western blotting, electrophoresis and mass spectrometry.Virtual Screening
torchV10 Brings the Next Generation of Molecule Design to the Desktop