publication date: Oct 12, 2011
|
author/source: The Cambridge Crystallographic Data Centre
The Cambridge Crystallographic Data Centre
(CCDC) today announced the CSD Solid Form Suite to support pharmaceutical and
agrochemical development. Using a knowledge-based approach the Solid Form Suite
provides guidance and decision support for form screening and selection,
enabling Quality by Design from an early stage.
"Solid Form Informatics is all about
distilling the vast amount of data available in the Cambridge Structure
Database (CSD) into targeted and actionable information regarding development
routes, potential polymorphism and associated manufacturing risks", says Dr
Colin Groom, Executive Director of the CCDC. "Adopting a Solid Form Informatics
approach will help significantly reduce the risk of late stage failure that has
been so costly to the industry."
Developed with a consortium of major
pharmaceutical and agrochemical companies, the CSD Solid Form Suite includes
predictive analytics methods that make use of the millions of intermolecular
interactions stored in the CSD to inform on polymorphism and aid in co-former
design. Statistical models are built
from relevant structures in the CSD which encapsulate information regarding the
environment of the functional groups, ensuring the prediction is specific to
the target molecule. The CSD Solid Form
Suite is designed to integrate neatly into a lab chemist's workflow and
presents results in a form that supports form screening, selection and risk
assessment.
According to a consortium member, "crystal
polymorphism is a key risk factor for drug product manufacturing and
performance and remains one of the major problems encountered in drug
development. The CSD Solid Form Suite
with its newly-developed Hydrogen Bond Propensity tool will help scientists to
quantify the risk of polymorphism allowing them to make informed decisions on
which crystalline form to develop. This
tool, applied to known crystal structures and even 2D renditions of a molecular
structure, is sure to advance the experimental screening and selection of drug
crystal forms, the first step towards ensuring Quality is built by Design into
drug products."
The CSD Solid Form Suite will be generally
available at the end of November 2011 as part of the forthcoming 2012 release
of the CSD System. For more information
on the CSD Solid Form Suite, visit
http://www.ccdc.cam.ac.uk/products/csd_solid_form_suite
or register for the upcoming Solid Form Informatics webinar series at
http://www.ccdc.cam.ac.uk/events/registration
About
CCDC
The CCDC is a leading provider of
structural knowledge bases and informatics applications for pharmaceuticals,
agrochemicals and materials development. Originating in the Department of
Chemistry at the University of Cambridge, the CCDC is now a fully independent
institution constituted as a non-profit company and a registered charity since
1989. The CCDC compile and distribute the Cambridge Structural Database (CSD),
the world's repository of experimentally determined organic and metal-organic
crystal structures, and related applications software including GOLD and
Relibase+. The CCDC also has a strong track record in basic research through
more than 700 peer-reviewed publications.
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