Publications

PUBLICATIONS


A paper authored by Dr Josep Prous, Vice President of Prous Institute for Biomedical Research, published in Japan’s CBI Journal describes the advances in information technologies which allow complex data scenarios to be analyzed, and highlights the development of predictive models which correlate the features of small molecule with properties of pharmacological interest, including therapeuti...


Symmetry's Global Mechanism of Action (GMoA) model provides decision support in the multi-target approach to deliberately combine in a single molecule scaffolds related to different therapeutic targets. This case study is performed with molecules reported in a recent paper describing the first compound exhibiting gamma-Secretase modulation, PPARgamma agonism and 5-LOX inhibition for the potential ...


Prous Insitute is pleased to announce the launch of our new website showcasing the features and benefits of Symmetry, the world’s first integrated predictive platform for drug discovery and safety evaluation.  To visit the website please click here.   


Symmetry's Global Mechanism of Action (GMoA) model helps anticipate potential off-target safety liabilities of new structures early in drug discovery. This case study is performed with molecules reported in a recent paper describing the optimization of compounds for the potential treatment of Alzheimer ’s disease, minimizing cardiovascular liabilities (hERG channel blockade). To recei...


A new paper co-authored by scientists at US FDA and Prous Institute for Biomedical Research describes the development and validation of a QSAR model to predict Salmonella t. mutagenicity (Ames assay outcome) of pharmaceutical impurities using Prous Institute SYMMETRY SM, the world’s first integrated in silico solution for drug discovery and safety screening.  Data was sourced from publi...


A new paper published by US FDA scientists (In silico modeling to predict drug-induced phospholipidosis; Sydney S. Choi, Jae S. Kim, Luis G. Valerio Jr., Nakissa Sadrieh;  Toxicol Appl Pharmacol. 269 (2013) 195–204) explores the use of Prous Institute’s SYMMETRY® in the construction and validation of QSAR models for the identification of drug-induced phospholipidosis (DIPL). T...


Berlin, Germany: Prous Institute for Biomedical Research has announced the presentation of study results using its proprietary computational platform, Symmetry®, to identify molecular and cellular targets involved in neuroplasticity and tumor cell proliferation at the 22nd International Symposium on Medicinal Chemistry organized by the European Federation of Medicinal Chemistry (EFMC). Prous...


Vienna, Austria: Prous Institute for Biomedical Research and the FDA Center for Drug Evaluation and Research (CDER) will present the results of their work to develop reliable mutagenicity models with a new release of Prous Institute’s Symmetry® computational platform and FDA/NCTR Mold2 descriptor package.  Prous Institute and the FDA/CDER are jointly presenting the research findings...


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 relia...


Innovative in silico approach opens new avenues in drug discovery for the treatment of CNS disorders   Barcelona: Prous Institute for Biomedical Research is presenting the results of its work to construct a predictive computational system mimicking the different processes involved in neuroplasticity with the aim of identifying molecules with potential pharmacological activity.   ...


SYMMETRY® − an ensemble of computational tools and methods aiming to replicate all the processes through which new drugs are discovered, developed and approved – supports several strategies to discover new drugs. Here we describe modifying the chemical structures of natural products to improve their pharmacological efficacy and ADMET profiles as well as identifying new indications....


Illustrates how new targeted therapies for type 2 diabetes can be discovered using the Prous Institute SYMMETRY® drug discovery platform. The approach has been successfully applied across other diverse therapeutic targets and disease areas, including cancer, pain and neurodegeneration. The platform aims to speed up the process of drug discovery and development, reducing time cost and attrition...


San Francisco, March 15, 2012 - Prous Institute for Biomedical Research and the FDA Center for Drug Evaluation and Research (CDER)  have found promising validation results for the predictive performance of mutagenicity models using Prous Institute's Symmetry® computational software and the FDA/NCTR Mold2 descriptor package. Prous Institute and the FDA/CDER are jointly presenting the...


San Francisco, March 14, 2012 - Prous Institute for Biomedical Research has reported encouraging statistically significant results for cross-validation and external validation of cytochrome P450 3A4 and 2D6 inhibitor models created using its BioEpisteme® predictive software. The findings are a result of an FDA-approved research collaboration and are being presented jointly with the FDA Center ...


Washington D.C., USA: Prous Institute for Biomedical Research will be jointly presenting a scientific poster with the US FDA Center for Drug Evaluation and Research (CDER) at the Annual Meeting of the Society of Toxicology in Washington D.C.. The poster is titled: “Computational Modeling for QT Prolongation: A Drug Cardiovascular Safety Endpoint of Paramount Importance”. The poster wil...


Washington D.C., USA: Prous Institute’s BioEpisteme® software will be featured in a scientific poster to be presented by the US FDA Center for Drug Evaluation and Research (CDER), Office of Pharmaceutical Science (OPS), at the Annual Meeting of the Society of Toxicology in Washington D.C., March 6th-10th 2011. The poster is titled: “In silico Predictive Model for Drug-Induced Phosp...


Part C: use of QSAR and an expert system for the estimation of the mechanism of action of drug-induced hepatobiliary and urinary tract toxicities.  Describes the regulatory use of BioEpisteme and other predictive systems. Authors: Matthews EJ, Kruhlak NL, Benz RD, Aragonés Sabaté D, Marchant CA, Contrera JF. Journal: Regul Toxicol Pharmacol. 2009 Jun;54(1):43-65, PMID: 19422...


Authors: Wang YJ, Dou J, Cross KP, Valerio LG Jr.  Journal: Regul Toxicol Pharmacol. 2011 Feb;59(1):111-24. Source:  Office of Pharmaceutical Science, Center for Drug Evaluation and Research, US Food and Drug Administration, 10903 New Hampshire Avenue, Silver Spring, MD 20993-0002, USA. Link to Article


Authors: Matthews EJ, Frid AA. Journal: Regul Toxicol Pharmacol. 2010 Apr;56(3):247-75., PMID: 19932726 Link to Article


Authors: Frid AA, Matthews EJ Journal: Regul Toxicol Pharmacol. 2010 Apr;56(3):276-89., PMID: 19941924 Link to Article


Authors: Edwin J. Matthews;  Naomi L. Kruhlak;  R. Daniel Benz;  Joseph F. Contrera;  Carol A. Marchant; Chihae Yang. Journal: Toxicol Mech Methods. 2008;18(2-3):189-206., PMID: 20020914 Link to Article


Authors: Silvestre JS, Prous JR. Journal: Methods Find Exp Clin Pharmacol. 2007 Sep; 29(7):457-65.PMID: 17982510 Link to Article


Authors:  Daniel R. Benz, Edwin J. Matthews, Naomi L. Kruhlak, Anna A. Frid, Barbara L. Minnier and Joseph F. Contrera.  Meeting: AATEX 14, Special Issue, 463-467, Proc. 6th World Congress on Alternatives & Animal Use in the Life Sciences, August 21-25, 2007, Tokyo, Japan.    Link to Article


Authors: Silvestre JS, Prous J.  Journal: Methods Find Exp Clin Pharmacol. 2005 Jun;27(5):289-304.  Link to Article