Email this article Computational platform Way2Drug: from the prediction of biological activity to drug repurposing
- Authors: Druzhilovskiy D.S.1, Rudik A.V.1, Filimonov D.A.1, Gloriozova T.A.1, Lagunin A.A.1,2, Dmitriev A.V.1, Pogodin P.V.1, Dubovskaya V.I.1, Ivanov S.M.1,2, Tarasova O.A.1, Bezhentsev V.M.1, Murtazalieva K.A.1,2, Semin M.I.1,2, Maiorov I.S.1,2, Gaur A.S.3, Sastry G.N.3, Poroikov V.V.1
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Affiliations:
- Institute of Biomedical Chemistry
- N. I. Pirogov Russian National Research Medical University
- CSIR-Indian Institute of Chemical Technology
- Issue: Vol 66, No 10 (2017)
- Pages: 1832-1841
- Section: Reviews
- URL: https://journal-vniispk.ru/1066-5285/article/view/241411
- DOI: https://doi.org/10.1007/s11172-017-1954-x
- ID: 241411
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Abstract
The Way2Drug informational-computational platform (www.way2drug.com/dr) provides access to the data on drugs approved for medicinal use in the USA and Russian Federation, as well as computational possibilities for the prediction of biological activity of drug-like organic compounds. Currently realized computational tools of the platform, which allow one to predict several thousands of biological activity types, including the interaction with molecular targets, pharmacotherapeutic and side effects, metabolism, acute toxicity for rats, cytotoxicity, influence on gene expression, and other properties characterizing the evaluation how promising are particular drug-like compounds as potential pharmaceuticals, are reviewed. Using the Way2Drug platform, one can not only select the most promising "hits" for the synthesis and testing of biological activity but also reveal new indications for the launched drugs.
About the authors
D. S. Druzhilovskiy
Institute of Biomedical Chemistry
Author for correspondence.
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
A. V. Rudik
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
D. A. Filimonov
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
T. A. Gloriozova
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
A. A. Lagunin
Institute of Biomedical Chemistry; N. I. Pirogov Russian National Research Medical University
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121; 1 ul. Ostrovityanova, Moscow, 117997
A. V. Dmitriev
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
P. V. Pogodin
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
V. I. Dubovskaya
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
S. M. Ivanov
Institute of Biomedical Chemistry; N. I. Pirogov Russian National Research Medical University
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121; 1 ul. Ostrovityanova, Moscow, 117997
O. A. Tarasova
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
V. M. Bezhentsev
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
K. A. Murtazalieva
Institute of Biomedical Chemistry; N. I. Pirogov Russian National Research Medical University
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121; 1 ul. Ostrovityanova, Moscow, 117997
M. I. Semin
Institute of Biomedical Chemistry; N. I. Pirogov Russian National Research Medical University
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121; 1 ul. Ostrovityanova, Moscow, 117997
I. S. Maiorov
Institute of Biomedical Chemistry; N. I. Pirogov Russian National Research Medical University
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121; 1 ul. Ostrovityanova, Moscow, 117997
A. S. Gaur
CSIR-Indian Institute of Chemical Technology
Email: dmitry.druzhilovsky@ibmc.msk.ru
India, Hyderabad, 500 007
G. N. Sastry
CSIR-Indian Institute of Chemical Technology
Email: dmitry.druzhilovsky@ibmc.msk.ru
India, Hyderabad, 500 007
V. V. Poroikov
Institute of Biomedical Chemistry
Email: dmitry.druzhilovsky@ibmc.msk.ru
Russian Federation, 10/8 Pogodinskaya ul., Moscow, 119121
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