In vitro and in silico lipoxygenase inhibition studies and antimicrobial activity of pyrazolyl-phthalazine-diones

Kragujevac Journal of Science

Radojević Ivana D.¹  Čomić Ljiljana R.¹  Tomašević Nevena²  Mladenović Milan²  Simijonović Dušica³  Milovanović Vesna M.³  Petrović Zorica D.³  Petrović Vladimir P.³ 

[1] University of Kragujevac, Faculty of Science, Department of Biology and Ecology, Kragujevac, Serbia;University of Kragujevac, Faculty of Science, Department of Chemistry, Kragujevac Center for Computational Biochemistry, Kragujevac, Serbia;University of Kragujevac, Faculty of Science, Department of Chemistry, Kragujevac, Serbia;

关键词: pyrazolyl-phthalazine-dione derivatives;    anti-inflammatory activity;    molecular docking;    antimicrobial activity;   

DOI  :  10.5937/KgJSci2143035M

来源: DOAJ

【 摘 要 】

The series of pyrazolyl-phthalazine-dione derivatives (PPDs) was subjected to evaluation of their in vitro lipoxygenase (LOX) inhibition and antimicrobial activities. Results obtained for LOX inhibition activities of PPDs showed that all compounds exhibit good to excellent activity, whereby compounds with eudesmic, syringic, vanillic or toluic moiety are the most active. Molecular modelling study was performed to investigate the possible mechanism of action and binding mode of compounds within the LOX active site. Docking results revealed that activity of the examined compounds depends on the functional group ability to create hydrogen bond accepting (HBA) and hydrophobic features (Hy) in the LOX-Ib active site. In addition, all substances were tested for their antibacterial and antifungal activities. The investigated compounds showed better antifungal than antibacterial activity. The highest antifungal activity was on Aspergillus fumigatus ATTC 204305 and Trichoderma viridae ATCC 13233.

【 授权许可】

Unknown