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CapNMR Confirms New Molecules
Protasis Automates Medicinal Chemistry Departments with One-Minute NMR
Savoy, IL - November 15, 2012
Protasis announces the fifth anniversary of its integrated High Throughput Structure Confirmation (HTSC) system designed to automate Medicinal Chemistry departments. This multi-user, multi-solvent system uses Protasis high sensitivity CapNMR probes, the popular CTC/LEAP liquid handler and Protasis One-Minute NMR software to acquire and process hundreds of NMR spectra each day in support of dozens of synthesis chemists in Medicinal Chemistry departments that make new molecular libraries for drug discovery.
The Protasis Discovery HTSC-NMR Automation system allows synthesis chemists to submit samples efficiently in standard microplates and/or 12mm vial racks, rapidly acquire high quality spectra using only miniscule amounts of sample. Then they can effectively process this data using the latest ACD/Labs Structure Verification algorithms and viewers to provide answers to the fundamental questions of "Did I Make What I Thought I Made?" and "How Much Do I Have?" The One-Minute NMRTM automation platform (Protasis Corporation, Marlboro, MA, www.protasis.com) allows multi-user sample submission from any web browser, tailored 1H and 2D NMR experiments, fast sample loading, script support for Varian and Bruker spectrometers, and seamless integration with ACD/Labs Structure Verification software.
One-Minute NMR maximizes sample throughput by acquiring fast 1D spectra on each sample and adding HSQC experiments only when needed to improve match scores. When all experiments are complete, a concise e-mail report is sent to each user with HTML links to their spectra for detailed viewing. One-Minute NMR includes many convenience features like automated Probe Clean, Sample List Importing, Sample Return, Night Samples, Priority Samples, Macros, and Rapid Solvent Switching. By drastically reducing the time it takes to get answers from existing NMR systems, at a reasonable price, One-Minute NMR automation is a "must have" for Medicinal Chemistry departments.
The Protasis Structure Confirmation System is the highest performing system available for active departments that are building and certifying molecular libraries. Bob Albrecht, summed up, "Use mass spectrometry to provide molecular weight. But use One-Minute NMR to provide high-certainty structure confirmation, % yield and purity so that you can fully characterize your valuable molecules."
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Featured Abstract
Integration of Microfractionation, qNMR and Zebrafish Screening for the In Vivo Bioassay-Guided Isolation and Quantitative Bioactivity Analysis of Natural Products
Nadine Bohni 1; Maria Lorena Cordero-Maldonado 2,3; Jan Maes 2; Dany Siverio-Mota 2; Laurence Marcourt 1; Sebastian Munck 4; Appolinary R. Kamuhabwa 5; Mainen J. Moshi 5; Camila V. Esguerra 2; Peter A. M. de Witte 2; Alexander D. Crawford 2; Jean-Luc Wolfender 1
1 School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, Geneva, Switzerland, 2 Laboratory for Molecular Biodiscovery, Department of Pharmaceutical and Pharmacological Sciences, University of Leuven, Leuven, Belgium, 3 Faculty of Chemistry Sciences, School of Biochemistry and Pharmacy, University of Cuenca, Cuenca, Ecuador, 4 VIB Center for the Biology of Disease, University of Leuven, Leuven, Belgium, 5 Faculty of Pharmacy, Muhimbili University of Health and Allied Sciences, Dar es Salaam, Tanzania
Abstract
Natural products (NPs) are an attractive source of chemical diversity for small-molecule drug discovery. Several challenges nevertheless persist with respect to NP discovery, including the time and effort required for bioassay-guided isolation of bioactive NPs, and the limited biomedical relevance to date of in vitro bioassays used in this context. With regard to bioassays, zebrafish have recently emerged as an effective model system for chemical biology, allowing in vivo high-content screens that are compatible with microgram amounts of compound. For the deconvolution of the complex extracts into their individual constituents, recent progress has been achieved on several fronts as analytical techniques now enable the rapid microfractionation of extracts, and microflow NMR methods have developed to the point of allowing the identification of microgram amounts of NPs. Here we combine advanced analytical methods with high-content screening in zebrafish to create an integrated platform for microgram-scale, in vivo NP discovery. We use this platform for the bioassay-guided fractionation of an East African medicinal plant, Rhynchosia viscosa, resulting in the identification of both known and novel isoflavone derivatives with anti-angiogenic and anti-inflammatory activity. Quantitative microflow NMR is used both to determine the structure of bioactive compounds and to quantify them for direct dose-response experiments at the microgram scale. The key advantages of this approach are (1) the microgram scale at which both biological and analytical experiments can be performed, (2) the speed and the rationality of the bioassay-guided fractionation – generic for NP extracts of diverse origin – that requires only limited sample-specific optimization and (3) the use of microflow NMR for quantification, enabling the identification and dose-response experiments with only tens of micrograms of each compound. This study demonstrates that a complete in vivo bioassay-guided fractionation can be performed with only 20 mg of NP extract within a few days.
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Bao Nuygen from Pfizer hosted a poster session and Protasis hosted a hospitality suite with a copy of the same poster. This joint Pfizer-Protasis poster described a portable, cryofree Process NMR Analyzer built around a compact (only 15" in diameter), 200 MHz magnet using HTS (High Temperature Superconducting) wire and operating at 18 degrees Kelvin. We saw strong interest in ‘cryofree’ magnets in both locations as a way to reduce costs and make NMR more accessible to routine synthesis confirmation and product quality applications.
We also had a joint poster with Amgen, which received much attention because it showed some new ways to load flow inserts for Bruker and Agilent cryoprobes more efficiently. Our Zero Dispersion Sample Loading (ZDSL) technique (developed in collaboration with NEU) can often double S/N by reducing sample dispersion to near zero when loading samples fluidically from 96- or 384-well plates or 2mL vials.
In addition there was interest from our current customers in our Windows 8 update to our popular One-Minute NMR automation software. Although we are somewhat ahead of the curve on adoption of this new Microsoft platform, we like to signal new directions with our current, fully network-enabled software.
Similarly, the new NMR spectrometer software used with the MRD is up-to-date, platform-independent Java code (running on Windows 7 in Groton).
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We would like to visit you in 2014 and bring the excitement of microNMR home to your laboratory and your colleagues. We’d like to see your lab and show you how we can boost your productivity. And we’ll make it simple. Just look over the list of seminars and pick three topics that interest you. FAX it back and we’ll let you know when we’re in your city and can deliver a tailored seminar to your group. Or request a seminar here. What better way to learn how you can benefit from the latest trends in NMR automation that let you get improved sensitivity and run more samples on your existing NMR instruments.
Request ENC 2013 Letter and Product Catalog
Call us for the UIUC Student Poster
Call us for the Pfizer Quantitation Poster
To hear more about what happened at ENC, request our ENC Letter. We'll mail it right out to you with our latest product catalog.
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Automate Your Department!
Get an optimized solution that can power your entire department! Protasis' High Throughput NMR Structure Confirmation System has supported sample workloads of up to 2500+ samples per month in departments with up to 150+ synthesis chemists.
Sensitivity. Now you don't need to worry about having enough material or time to get the spectra that you need to keep your research progressing. When you can get spectra from as little as 1 microgram (or even 100 nanograms with extended integration times) you can prepare less material, use less reagents and spend less magnet time.
Simplicity. Finally! One-Minute NMR lets you to load samples directly from industry-standard vials and microplates. Simplify your lab with true multi-user, open access NMR automation. Let your robot handle routine spectral acquisition so you can get more done. Eliminate unnecessary cost, complexity and handling.
Economy. MicroFlow NMR provides high mass sensitivity and spectral data quality. And it costs less to purchase, operate and maintain. It can save sample collection or preparation time and reagent cost. It pays for itself, making conversion to the capillary-scale easy to justify to yourself and to management.
Micro Flow NMR has a continuous, smooth flowpath that is easy to keep clean and allows convenient sample collection at the end of a run. You can get the highest quality data from miniscule amounts of material.
190 Cedar Hill Street
Marlboro, MA 01752
Telephone: 508-481-4163
Fax: 508-481-4190
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microflow nmrtm
Get More
SPM*
———–——————-————————————————————-—
With Less
CPS**
Protasis CapNMR™ probes and One-Minute NMR™ automation systems can run hundreds of samples per month to boost productivity in your department. Running about one plate per day? You can automate your existing NMR system for about $1.00 per sample.
Get high mass sensitivity,
flow-through simplicity and
tubeless economy in your lab today!
* Samples Per Month ** Cost Per Sample
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