Fujitsu America, Inc.
Fujitsu’s BioIT Group Releases New Software Application “ActiveSite™” for Designing Effective Small Molecule Inhibitors of Protein Targets
Westwood, MA, May 4, 2004 — The BioIT Group of Fujitsu America, Inc. announced today the release of their new ActiveSite™ software add-on to their BioCAChe™, BioMedCAChe™, and WorkSystem Pro™ products. BioMedCAChe is the CAChe Group’s flagship protein to drug discovery modeling software for the Windows® operating system.
BioMedCAChe provides powerful tools to speed the drug discovery process by predicting and selecting better quality leads before making them in the lab. Scientists can import and display 3D proteins directly from the Protein Data Bank (PDB), then view, analyze and modify them using interactive sequence and 3D structure editor windows. In addition, scientists can optimize proteins, dock ligands, and model reactions of molecules with tens of thousands of atoms — even predicting electronic properties from quantum mechanics using the new 4-fold more accurate PM5 method in MOPAC2002, included in the latest version of BioMedCAChe.
With the new ActiveSite add-on, scientists can perform automatic ligand docking calculations, enabling them to dock flexible or rigid ligands into proteins with flexible or rigid side chains. The ActiveSite add-on also supports the use of enhanced PMF scoring, as documented in a recent patent application.
“We have received a tremendously positive early response from our existing base of BioMedCAChe users,” said Dr. George Purvis, Vice President of the CAChe Product Line.“ These users have been able to begin producing immediate results with the ActiveSite add-on, greatly reducing the time required to evaluate the fit of their lead compounds into their protein targets.”
The new ActiveSite add-on is superior to many competing docking packages that are constrained by molecular size and display speed, thereby requiring the use of powerful and expensive UNIX workstations. The ActiveSite add-on to BioMedCAChe enables scientists to conduct high-performance and automated ligand docking on their Windows desktop with optional 3D-stereoscopic displays.
The award-winning ProjectLeader™ interface, an integral part of the new ActiveSite add-on to BioMedCAChe, is especially useful for drug discovery. ProjectLeader automates ADME and QSAR/QSPR predictions of any property and enables researchers to load compound libraries and run “Rule-of-5” calculations on them automatically, to find the most promising drug-like compounds to be used in the automated docking feature of ActiveSite.
About the BioIT Group
The BioIT Group is a global division of Fujitsu, Ltd., which serves biotechnology and pharmaceutical drug discovery researchers by providing a suite of bioinformatics and cheminfomatics software tools and services. The CAChe Group is now a part of the Fujitsu BioIT Group and continues to supply software tools for experimental chemists and biologists conducting research in life sciences, materials and chemicals. CAChe tools are used to predict structure, properties and mechanisms of drugs, organics, polymers, biomolecules, liquids and gases, and are an important part of the Fujitsu BioIT portfolio of products. For more information, please see: us.fujitsu.com/biosciences.
About Fujitsu
Fujitsu is a leading provider of customer-focused IT and communications solutions for the global marketplace. Pace-setting technologies, highly reliable computing and communications platforms, and a worldwide corps of systems and services experts uniquely position Fujitsu to deliver comprehensive solutions that open up infinite possibilities for its customers' success. Headquartered in Tokyo, Fujitsu Limited (TSE:6702) reported consolidated revenues of 4.7 trillion yen (US$45 billion) for the fiscal year ended March 31, 2004. For more information, please see: www.fujitsu.com.
Press Contacts
Joshua Nathan
Marketing Communications Manager
Fujitsu America, Inc.
BioIT Group
Tel: 781-326-6330
Fax: 781-326-7173
E-mail:jnathan@us.fujitsu.com
