- Trega Biosciences Showcases the iDEA(TM) Simulation System to Predict Key
Elements of Bioavailability in Drug Candidates -
SAN DIEGO, Oct. 26 /PRNewswire/ -- The trend towards in silico
(computer-based) design and selection of new molecules to improve the
efficiency and reduce the cost of drug discovery and development will be a
major theme at the American Association of Pharmaceutical Scientists (AAPS)
meeting in Indianapolis from October 29 - November 2. At the largest annual
gathering of pharmaceutical scientists in the world, Trega Biosciences, Inc.
(Nasdaq: TRGA), the innovator in modeling systems to simulate how drug
candidates will be processed in the body, is presenting data on its absorption
model, and "sneak previewing" the capability of its second model to predict
metabolism. Absorption and metabolism are the first two modules of Trega's
iDEA(TM) Predictive ADME (absorption, distribution, metabolism and excretion)
Simulation System.
"We are witnessing a paradigm shift in the pharmaceutical industry
concerning the process of making smart decisions about which drugs to develop,
and more and more software is becoming available to discovery scientists to
enable such decisions earlier in the process," said Patrick Sinko, Ph.D. Dr.
Sinko, Trega's Chief Scientist of Discovery Technologies, and Professor and
Chairman, Department of Pharmaceutics, College of Pharmacy, Rutgers
University, is a featured speaker at the AAPS Symposium on "Enabling
Technologies for Ensuring Developability."
Dr. Sinko added: "Much of the estimated cost of $650 million to get a
drug to market is not for developing the one successful drug, but for the
90+% of drugs that will fail prior to getting to market. Perhaps the most
exciting area, therefore, is in ADME simulation, because an understanding of
the bioavailability of a drug in humans is so critical to its downstream
success in the clinic. The Trega iDEA(TM) Simulation System, for example,
offers a tremendous amount of leverage because it can be applied so early in
the discovery process. Trega's initial iDEA(TM) absorption module is designed
to enable a scientist to use in vitro data to predict drug impact in humans.
Trega's Chemical Structure Based Model
Dr. Carleton Sage, Senior Computational Scientist, of Trega Biosciences,
et.al., will present a poster on "In silico prediction of Caco-2 permeability
from molecular structure" (see schedule attached). Caco-2 is an established
in vitro method for estimating permeability and an input to the iDEA(TM)
absorption module. Trega set out to show that if Caco-2 permeability could be
predicted using molecular structure, then human absorption properties could be
incorporated much earlier in the drug discovery process, thereby eliminating
wasteful and expensive testing of poorly absorbed compounds. After generating
data on 230 drugs, both marketed and failed, Trega constructed a number of
models, the best of which accurately predicts Caco-2 permeability based solely
on molecular structure as in input. The experiment validates the premise that
synthesis or experimentation may not be necessary first steps to understanding
absorption characteristics of compounds.
"Currently, Trega is demonstrating the ability to go from structural data
to predict the in vitro outcome. Thus, for the first time ever, the next
generation of Trega's absorption model will provide the research scientist
with a design continuum that goes directly and reliably from the molecular
structure of a drug on the computer screen to a prediction of the
bioavailability of that drug on humans," Dr. Sinko concluded.
Trega iDEA(TM) Simulation System Validated
Dr. Glen Leesman, Principal Scientist, of Trega will be presenting data
that further validates the premise that Trega's absorption model accurately
predicts drug absorption when applied in a "real-world" pharmaceutical
research setting. The accuracy of the model had initially been demonstrated
using data provided by a consortium of pharmaceutical companies. The rate and
extent of absorption of eight additional drugs, provided by F. Hoffmann
LaRoche for this experiment, were then evaluated. The selected drugs had
diverse chemical and physical properties and were provided for evaluation with
molecular weight as the only form of identity. The Trega model accurately
predicted the relevant biopharmaceutical outcomes for all eight drugs.
Dr. Leesman's, et. al., poster is entitled, "Assessment of the
physiologically-based iDEA(TM) predictive model using an external
(blinded) data set" (see schedule attached).
"Consistent with our modular design strategy, our scientists have
developed the next generation model that uses chemical structure to predict
Caco-2 permeability. This feature is particularly applicable in early
discovery for in silico screening of large numbers of compounds and
significantly expands the scope of solutions that can be addressed by
predictive modeling," said Michael G. Grey, Trega's President and CEO.
"Furthermore, external researchers have validated the utility and reliability
of the commercially available physiologically-based iDEA(TM) absorption
model."
Sneak Preview of iDEA(TM) Module to Simulate Metabolism
Trega is developing a predictive model to simulate how a compound is
metabolized in the human body and plans to preview elements of the model
during the conference (see schedule attached). The metabolism model is being
developed using in vitro data and human pharmacokinetic data to build
predictive relationships. The data required for this model includes the
output from the iDEA(TM) absorption module and data generated by performing an
in vitro hepatocyte assay in the laboratory. The model then predicts the
amount of drug that passes through the liver unchanged.
"The development of our metabolism model is representative of our strategy
of developing each module with collaborators in pharmaceutical companies. As
we recently announced, Janssen Research Foundation and The R.W. Johnson
Pharmaceutical Research Institute, members of the Johnson & Johnson family of
companies, will collaborate with Trega to further enhance the predictive
capabilities of iDEA(TM) predictive model," continued Mr. Grey. "We intend to
complete development of the metabolism module by the end of this year with the
next release of the iDEA(TM) Simulation System. Trega plans to enable the
comprehensive in silico prediction of bioavailability with a suite of modules
to simulate absorption, metabolism, distribution and excretion."
Trega Biosciences, Inc. is a premier provider of products that accelerate
and improve drug discovery through its iDiscovery(TM) technologies linking
biology and chemistry with information technologies. Trega's iDEA(TM)
Predictive ADME Simulation System of information-based models simulate, in
silico, how drug candidates will be processed in the body, thereby enabling
selection of those with optimal characteristics for clinical development.
Together with its iDEA(TM) products, Trega's Chem.Folio(R) libraries of
information-enhanced small molecules are designed to facilitate the
identification and optimization of drug candidates. For additional
information on Trega, please visit our Web site at http://www.trega.com.
Except for the historical information contained herein, the matters
discussed in this news release are forward-looking statements that involve
risks and uncertainties, including whether further iDEA(TM) predictive models
can be successfully developed and commercialized, the impact of competitive
products and pricing, whether any corporate collaborations or alliances will
be agreed to, expanded or successful, and other risks detailed from time to
time in Trega's Securities and Exchange Commission filings. These
forward-looking statements represent Trega's judgment as of the date of this
release. Actual results may differ materially from those projected. Trega
disclaims, however, any intent or obligation to update these forward-looking
statements.
Trega Activities at the AAPS
Monday, October 30, 2000
12:00 - 5:30 PM 10' Exhibit booth at AAPS 2000 Exposition
12:00 - 5:30 PM iDEA(TM) absorption module demo in Room MR-1 on the
exhibit floor
1:00 - 2:30 PM Media demo of iDEA(TM) Simulation System in Room MR-1
Tuesday, October 31, 2000
9:30 AM - 5:30 PM 10' Exhibit booth at AAPS 2000 Exposition
9:30 AM - 5:30 PM iDEA(TM) absorption module demo in Room MR-1 on the
exhibit floor
9:30 AM - 12:30 PM Poster: "Utility of a 24-Well Format of Caco-2
Monolayer for Absorption Screening and Prediction"
By YongHee Lee, Ph.D.
Poster: "Comparison of the Permeability
Characteristics of BCS Compounds in Various
Intestinal Regions of Rabbit and Caco-2 Models"
By KyoungJin Lee, Ph.D.
Poster: "In Silico Prediction of Caco-2 Permeability
from Molecular Structure" By Carleton Sage, Ph.D.
4:15 - 5:00 PM Patrick Sinko, Ph.D. -- Presentation "Acquiring and
Applying Screens of ADME Properties to the Selection
of Drug Candidates" as part of "Enabling Technologies
for Ensuring Developability" Symposium from
1:30 - 5:00 PM
Wednesday, November 1, 2000
9:30 AM - 4:30 PM 10' Exhibit booth at AAPS 2000 Exposition
9:30 AM - 4:30 PM iDEA(TM) absorption module demo in Room MR-1 on the
exhibit floor
1:30 - 4:30 PM Poster: "Development and Validation of the
Physiologically Based iDEA(TM) Predictive Model"
By Gregg Timony, MS
Poster: "Methods and Metrics for the Comprehensive
Comparison of Absorption vs. Time Curves"
By Dan Norris, Ph.D.
Poster: "Assessment of the Physiologically-based
iDEA(TM) Predictive Model Using an External (Blinded)
Data Set" By Glen Leesman, Ph.D.
SOURCE Trega Biosciences, Inc.
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Related links:
http://www.trega.com
Company News On-Call:
http://www.prnewswire.com/comp/374050.html or fax,
800-758-5804, ext. 374050
CONTACT:
Gerard A. Wills, Chief Financial Officer,
858-410-6695, or Cynthia Reindal, Associate, Corporate
Communications & Investor Relations, 858-410-6601, both of Trega
Biosciences, Inc.; or Marcia Kean, Managing Director of Feinstein
Kean Healthcare, 617-577-8110
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