Principles for 3D/4D QSAR classification of drugs

Drug Discovery Today
Vladimir Potemkin, Maria Grishina

Abstract

The principles for the 3D/4D classification of drugs are introduced in this article. Based on these principles, new techniques for the reconstruction of complementary selfconsistent receptor fields for the classification of drugs, taking into account their multitautomeric and multiconformational states, are created. The series of examples of classification of drugs by their activity (active or nonactive), by their mechanisms of action, by their target and binding site and by the most important stages of their action are given. Prospects for rational drug design are highlighted.

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Mar 22, 2008·Journal of Computer-aided Molecular Design·Vladimir A Potemkin, Maria A Grishina

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Citations

Mar 24, 2011·Future Medicinal Chemistry·Chenzhong Liao, Marc C Nicklaus
Dec 31, 2015·Journal of Inorganic Biochemistry·Igor V TetkoElisabetta Gabano
Jul 10, 2016·Drug Discovery Today·Olgun Guvench
Aug 28, 2018·Current Drug Discovery Technologies·Maria A Grishina, Vladimir A Potemkin
Mar 12, 2020·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Przemystaw Krawczyk
Dec 28, 2018·Journal of Chemical Information and Modeling·Sergey SosninMaxim V Fedorov
Feb 13, 2021·International Journal of Molecular Sciences·Aleksandra RedzickaAndrzej Kochel
May 1, 2021·International Journal of Molecular Sciences·Beata TylińskaAnna Janicka-Kłos
Jun 3, 2021·International Journal of Molecular Sciences·Andrzej Bak
Jul 3, 2021·Materials·Przemysław KrawczykKrzysztof Z Łączkowski

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