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Prous Institute to Present its Novel Approach to Natural Product Drug Discovery at the Industrial Society for Industrial Microbiology and Biotechnology Meeting (SIMB) in Washington, D.C, Aug. 12-16, 2012

Natural products are attractive sources for discovering new drugs. The undisclosed mechanisms of action of thousands of molecular entities from medicinal plants remain to be elucidated, and experimental screening of these compounds is time-consuming and costly.  Structure-based data mining technologies and computational models (SYMMETRY®) developed at Prous Institute allow rapid and reliable screening of compounds with vast molecular diversity and against a wide range of therapeutic targets, and we have applied the technology to the natural products drug discovery field.

The technology enables the generation of focused libraries with vast molecular diversity around selected scaffolds of natural products.  Simultaneously, molecules in the library are screened for pharmacological activity, ADME and safety to identify compounds with desired profiles.  In silico screening provides decision support in the design and optimization of molecules and enables their prioritization prior to synthesis and experimental validation studies.

The implementation of this in silico approach has led to the discovery of novel compounds in various therapeutic areas. 

The talk by Josep Prous Jr., PhD, VP Research & Development, will highlight the discovery of new multikinase inhibitors derived from natural products magnolol and honokiol.S166: ‘In-silico approaches to natural product drug discovery’, Natural Products Session at the Industrial Society for Industrial Microbiology and Biotechnology Meeting, Meeting Room 6, Columbia Hall, Terrace level Washington Hilton, Washington DC, on Thursday,  August 16, 2012: 5:00 pm