Prediction of the biological activity of naphthoquinone N-derivatives on the basis of virtual screening and drug-like characteristics

Computer simulation in the chemical technology and engineering
Proceedings of the 2nd International Scientific Conference «Chemical Technology and Engineering»: June 24–28, 2019, Lviv: Lviv Polytechnic National University, 2018, pp. 38–39


First and Last Name Academic degree E-mail Affiliation
Nataliia Polish No polishn [at] Lviv Polytechnic National University
Lviv, Ukraine
Nataliia Marintsova Ph.D. nmarintsova [at] Lviv Polytechnic National University
Lviv, Ukraine
Lesia Zhurakhivska Ph.D. zhurakhivska [at] Lviv Polytechnic National University
Lviv, Ukraine
Volodymyr Novikov Sc.D. volodymyr.p.novikov [at] Lviv Polytechnic National University
Lviv, Ukraine
Mykhailo Vovk Sc.D. mvovk [at] Institute of Organic Chemistry of the NAS of Ukraine
Kyiv, Ukraine

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First published on this website: 13.03.2019 - 17:24

The predicted screening of the biological activity of aminopyrazole derivatives dichloronaphtoquinone with the use of the PASS program was carried out and their acute-looking characteristics were determined. On the basis of virtual screening data, perspective directions of experimental biological research of heterocyclic N-derivatives of 1,4-dichloronaphtoquinone were revealed.


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