Development of computational tools for tuberculosis drug discovery
The National Institute of Allergy and Infectious Diseases (NIAID), part of the National Institutes of Health, has awarded a second grant to Collaborative Drug Discovery, Inc. and SRI International to continue joint development of an information repository and software to identify novel therapeutics for tuberculosis (TB).
The Phase II Small Business Technology Transfer Research (STTR) grant will support the next two years of research and focus on extending a systems biology-cheminformatics approach to develop molecular mimics and computationally evaluate them for drug efficacy.
CDD and SRI researchers will further evaluate molecules discovered in Phase I, expand the scope of search for lead molecules for TB, and develop a software product for bioscience research use. The software will provide powerful query and analysis capabilities, and include links to other drug discovery tools and databases.
“After successful completion of Phase I, where we integrated intensive data mining, curation and computational approaches to suggest biological targets and their small molecule modulators, we now look forward to follow-up studies that will refine and validate our approach,” said Carolyn Talcott, Ph.D., program director, Information and Computing Sciences Division at SRI International.
“We are excited to continue our work on this project, which has already resulted in multiple publically accessible datasets that include results of experimental assays and information about drug compounds,” said Sean Ekins, Ph.D., vice president, Science at CDD. “We will build upon the demonstrated proof-of-concept to identify more compounds active against tuberculosis to include in the repository.”
“The validation of our approach focusing on neglected
diseases such as tuberculosis and their research communities has
enabled us to develop a technology that can be used for secure
sharing of data and is broadly useful,” said Barry Bunin,
president & CEO of CDD, “We welcome the opportunity to
work with other groups to develop our combined ideas into
fundable research projects and ultimately commercial
products.”
The project described was supported by Award Number 2 R42
AI088893-02 from the National Institute of Allergy and
Infectious Diseases. The content is solely the responsibility
of the authors and does not necessarily represent the official
views of the National Institute of Allergy and Infectious
Diseases or the National Institutes of Health.
About Collaborative Drug Discovery, Inc.
CDD
provides the most widely used web-based drug discovery software
platform on the market. “CDD Vault™” is the
secure, private industrial-strength database combining
traditional drug discovery informatics (registration and SAR)
with social networking capabilities. “CDD
Collaborate™” enables real-time collaboration by
securely exchanging selected confidential data with external
researchers. “CDD Public™” enables researchers
to mine a unique aggregation of information from a variety of
scientific data providers.
About SRI International
Innovations from
SRI International have created new industries, billions of
dollars of marketplace value, and lasting benefits to
society–touching our lives every day. SRI, a nonprofit
research and development institute based in Silicon Valley,
brings its innovations to the marketplace through technology
licensing, new products, and spin-off ventures. Government and
business clients come to SRI for pioneering R&D and
solutions in computing and communications, chemistry and
materials, education, energy, health and pharmaceuticals,
national defense, robotics, sensing, and more.
SRI International
