ANTIRADIKALSKI KAPACITET (E)-N’-1-(2,4-DIOKSO-2H-HROMEN-3(4H)-ILIDENE)ETIL)-4-HIDROKSI-3-METOKSIBENZOHIDRAZIDA
Date
2021
Authors
Antonijević, Marko
Simijonović, Dušica
Kesić, Ana
Avdović, Edina
Markovic, Zoran
Journal Title
Journal ISSN
Volume Title
Publisher
Agronomski fakultet
Abstract
Coumarins are a widespread group of compounds. They have a wide range of
physiological effects, from antifungal, through anticoagulant to anticancer, and
therefore they have found wide application in the treatment of various diseases. In
this paper, the ability of 4-hydroxy-3-methoxy-N'-((E)-1-(2,4-dioxo-2H-chromen-
3(4H)-ylidene)ethyl)benzohydrazide to inactivate ROS was investigated. The
analysis of the obtained results showed that the SET-PT (Single Electron Transfer
Followed By Proton Transfer) mechanism is non-operative. On the other hand, the
thermodynamic parameters describing the HAT *Hydrogen Atom Transfer) and the
first step of the SPLET (Sequential Proton Loss-Electron Transfer) mechanism
indicate that both mechanisms will be operative. The antiradical capacity of the test
compound with the radicals decreases in the following order: •OH> •OCH3>
•OC(CH3)3> •OOH> •OOCH3> •OOCH2CH3.
Description
Keywords
Antiradical activity, DFT, Thermodynamic approach, Termodinamički pristup