Calculation of the biological activity of nitrogen-containing organic compounds in the PASS program
Doklady Bashkirskogo Universiteta. 2019. Volume 4. No. 1. pp. 32-34.
Authors
Gazetdinov R. R.*
Bashkir State University, Birsk Branch
49 Internatsionalnaya Street, 452453 Birsk, Republic of Bashkortostan, Russia
*E-mail: aldrich@mail.ru
Semenova T. V.
Bashkir State University, Birsk Branch
49 Internatsionalnaya Street, 452453 Birsk, Republic of Bashkortostan, Russia
Abstract
Computer calculations of the biological activity of potentially pharmacologically valuable organic molecules containing ester groups and azine or hydrazide fragments are analyzed. The PASS program was used as a tool for calculations.
Keywords
- biological activity
- macroheterocycles
- computer calculation
- ester group
- azine
- hydrazide fragments