Tripos Announces New Software for Automatic Flexible Molecular Alignment
ST. LOUIS–(BUSINESS WIRE)–Tripos, Inc. (Nasdaq:TRPS), a leading provider of drug discovery informatics products and services and chemistry research, today announced the release of Surflex-Sim™, a fully automatic, flexible molecular alignment algorithm, integrated with SYBYL®, Tripos’ molecular modeling environment. Surflex-Sim provides a significant leap forward in biological similarity modeling, rapidly optimizing the pose of query molecules to evaluate their three-dimensional similarity to a known active compound.
Given a small number of competitive ligands for a protein binding site, this method can also produce an optimal superposition, maximizing pairwise similarities while minimizing total volume. This superposition forms a hypothesis as to the molecules’ preferred binding mode to their target and functions as a docking program to rank a set of input molecules according to their degree of fit to the hypothesis.
The Surflex-Sim program was developed by Professor Ajay Jain, Ph.D., founder and chief scientist at BioPharmics LLC as well as a professor at the University of California San Francisco (UCSF). Tripos also markets Prof. Jain’s Surflex-Dock™ program.
“Surflex-Sim has been demonstrated to yield robust results when applied to a significant fraction of the space of known drugs,” Jain said. “The method has been successfully deployed for systematic modeling of therapeutically relevant biological targets based solely on their known ligands, making it possible to rationalize off-target effects of drugs and to predict them.”
“This announcement demonstrates Tripos’ continuing commitment to innovation,” said Robert Clark, Ph.D., vice president of scientific research and director of the Tripos Informatics Research Center. “Our partnership with Professor Jain augments our internal efforts to provide our clients in the pharmaceutical, biotechnology and related life sciences industries with novel methods and unmatched science.”
Those wanting more information about Surflex-Sim and to assess its impact on their discovery projects should visit http://www.tripos.com/SurflexSimpr or contact their local Tripos sales representative.
About Tripos, Inc.
Tripos (Nasdaq:TRPS) combines leading-edge technology and innovative science to deliver consistently superior chemistry-research products and services for the biotechnology, pharmaceutical and other life science industries. Within Tripos’ Discovery Informatics (DI) business, the company provides software products and consulting services to develop, manage, analyze and share critical drug discovery information. Within Tripos’ Discovery Research (DR) business, Tripos’ medicinal chemists and research scientists partner directly with clients in their research initiatives, leveraging state-of-the-art information technologies and research facilities. Headquartered in St. Louis, Mo., Tripos spans the world with global research operations and an international client base. Further information on Tripos can be found at http://www.tripos.com.
Tripos and the Tripos logo are registered trademarks of Tripos, Inc., and/or its affiliates in the United States and certain other countries. All other trademarks mentioned in this document are the property of their respective owners.
