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| About Vladimir Poroikov (Russian Academy of Sciences) |
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Prof. Dr. Vladimir Poroikov is Vice-Director (Research), and Head of Laboratory for Structure-Function Based Drug Design, Institute of Biomedical Chemistry of Russian Academy of Medical Sciences. He is a Member of the Editorial Board of several scientific journals including SAR & QSAR in Environmental Research, Chemical & Pharmaceutical Journal, Biomedical Chemistry. He is co-author of more than 300 published works. In 2002-2007 he headed international projects supported by the EU’s FP6, ISTC, INTAS, CRDF, IFTI, RFBR, and contract research projects funded by the pharma industry. His group has developed the leading QSAR program PASS (Prediction of Activity Spectra for Substances).
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Bio- and Chemoinformatics Applications in Discovery of Multitargeted Drugs
Poroikov V.V., Institute of Biomedical Chemistry of Rus. Acad. Med. Sci., Pogodinskaya Str., 10, Moscow, 119121, Russia
During the XX century the dominant paradigm in creation of new drugs was based on suggestion about selectivity of action on a certain molecular target that should lead to the normalization of pathological process. At the same time, the majority of known drugs interact with several or even many targets in the organism; however such action is usually associated with unwanted adverse effects and toxicity. After the deciphering of the human genome and first results achieved in postgenomics studies it became obvious that many diseases have a complex etiology, while drug action on a certain target often leads to activation/inhibition of other elements in the appropriate regulatory network. As a consequence of negative feedbacks, expected pharmacotherapeutic action may be significantly decreased or even completely suppressed. The multitargeted drugs concept appeared [1], according which such remedies due to the additive or synergistic action might have some advantages compared to the monotargeted medicines. Discovery of new multitargeted drugs can be made based on prediction of biological activity spectra with the computer program PASS [2, 3], which predicts about 2800 pharmacological effects, mechanisms of action, adverse effects and toxicity with average accuracy of more than 90%. Potential of bioinformatics and computer-aided drug discovery methods in definition of prospective sets of particular molecular targets and identification of lead substances for future multitargeted drugs in the databases of available chemical compounds samples will be discussed.
We gratefully acknowledge the support of this work by RFBR grants ?? 05-07-90123, 05-03-08077, ISTC/BTEP # 3197/111, FP6 # LSHB-CT-2007-037590.
References
1. Wermuth C.G. (2004). Multitargeted drugs: the end of the ‘one-target-one-disease’ philosophy? Drug Discovery Today, 9 (19), 826-827.
2. Poroikov V., Filimonov D. (2005). PASS: Prediction of Biological Activity Spectra for Substances. In: Predictive Toxicology. Ed. by Christoph Helma. Taylor & Francis, 459-478.
3. Filimonov D.A., Poroikov V.V. (2006). Prediction of biological activity spectra for organic compounds. Russian Chemical Journal, 50 (2), 66-75.
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