Structural Bioinformatics

Sapient Discovery specializes in using the target protein sequence information for protein modeling, Augmented Homology ModelingTM, in cases where crystal structure information is unavailable, for designing and modifying protein constructs for x-ray crystallography, for guiding protein mutagenesis experiments as well as for target-anti-target analysis for the design of highly specific lead molecules. 

Structural Bioinformatics Platform

Sapient Discovery's Structural Bioinformatics platform has several automated features to understand sequence relationships, target-anti-target analyses, structure comparisons as well as ability to view models in different modes using a intuitive graphical interface. Please scroll on any of the items below and see how the various views show up in the protein informatics platform. The information gained from the database is used in efficient design of lead molecules for protein drug targets.

The protein informatics capabilities are heavily reliant on the protein structural information and hence the term, Structural Bioinformatics and they fall under the following categories:


A unique one of a kind object-oriented database designed with an extensive tool set for the centralized storage, retrieval, comparative analysis and mining of three-dimensional protein structural data. Computationally derived three-dimensional protein homology models in conjunction with PDB structures and/or a company’s proprietary structures can provide a powerful tool for the mining of three-dimensional structural information and viewing potential therapeutic targets in 3D-space for new drug discovery project.

This proprietary database developed by the scientific founders of Sapient Discovery contains more than 5,500 high quality three-dimensional protein homology models that represent approximately 500 plus protein families. A high percentage of the structures are human proteins, the vast majority of which are unavailable in the public domain. Multiple forms of many important classes of proteins (kinases, phosphatases, toxins, pathogenic proteins, etc.) are present in the database. In addition many of the structures in this database could themselves be therapeutic targets or in some cases anti-targets and will help in the design of specific inhibitors or antagonists. The content (3D-structures) of the StructureBankTM are used extensively in our lead finding projects and are accessed and viewed by a very advanced protein informatics toolkit. As part of Sapient Discovery's expert consulting services, StructureBankTM is utilized by Sapient Discovery scientists to aid protein design construct and lead molecule generation.

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