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ST. LOUIS - Sept. 8, 2002 - Tripos, Inc. (Nasdaq: TRPS), a leading provider of drug discovery informatics products and chemistry research, today announced the release of SYBYL® 6.9.1/UNITY® 4.4.1, the latest version of its industry-leading computational chemistry platform for drug design and discovery. This software update features the addition of two major scientific technologies, FUGUE™ and FlexX-Pharm™,* enhancing the SYBYL computational platform in the following ways: o FUGUE is designed to assist in recognizing distant homologues (divergent evolutionary relationships) by sequence-structure comparison. This program provides structural and functional information about a target sequence and a basis for comparative protein modeling.
FUGUE's key features are these: - Environment-specific substitution tables are improved. - The alignment algorithm is automatically selected with detailed structure-dependent gap penalties. In addition, HOMSTRAD™, a curated database of structure-based alignments for homologous protein families, is used with FUGUE to find distantly related proteins and generate accurate sequence- and structure-based alignments for a sequence. o FlexX-Pharm adds functionality to FlexX™, enabling ligand-docking calculations to be guided through interaction (i.e., pharmacophore features) and spatial constraints. This new SYBYL module provides virtual screening results that conform to a set of optional constraints which can be utilized in the SYBYL module CScore™ for ligand selection.
FlexX-Pharm's key features are these: - Before docking occurs, a quick prescreen can identify any ligands that cannot satisfy the pharmacophore. - Hydrogen bonding, hydrophobic and metal interactions are defined using FlexX interaction surfaces. - Spatial constraints enable spherical regions of space to be defined in which a specific ligand atom (e.g., carbon, nitrogen, oxygen) must be found. - Partial match directives can be defined in which a minimum and maximum number of optional constraints must be satisfied in a valid docking solution. This software update also includes code release on multiple platforms. Also available on Linux, SYBYL 6.9.1/UNITY 4.4.1 is the only complete computational chemistry suite available that can be used with but does not rely on mixed-platform or client-server architecture. Offering a diverse array of solutions to support the ever-changing requirements of the computational chemist, Tripos Discovery Informatics software is now available on three platforms: Linux, SGI® and HP. 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. Tripos partners with clients to accelerate and improve the creation of life-enhancing products. 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/. *FlexX and FlexX-Pharm were developed by Dr. Sally Hindle and Prof. Matthias Rarey and their colleagues at GMD institute SCAI (now FhG) headed by Prof. Dr. Thomas Lengauer. BioSolveIT GmbH has acquired exclusive rights to distribute, further develop, and maintain FleXX and FlexX-Pharm. Seascape offers cutting-edge NCE Research technologies to help bring about a quantum leap in discovery efforts. We offer computational chemistry, biology software, screening compounds, collaborative R&D & informatics services; and education aimed at NCE research. Seascape has been a sole, authorized representative of Tripos in India over the last eight years and developed collaborative relationships with pharma, biotech, acadamic and govt. labs. Seascape operates from its offices in New Delhi and San Francisco Bay Area. Contact us at info@seascapelearning.com.
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