Synthesis, antioxidant activity, molecular docking and ADME studies of novel pyrrolebenzimidazolederivatives

Authors

FİKRİYE ZENGİN KARADAYI
RAHMAN BAŞARAN
MEHMET MURAT KIŞLA
BİNAY EKE
ZEYNEP ALAGÖZ

DOI

10.55730/1300-0527.3377

Abstract

Several 5-(alkylsulfonyl)-1-substituted-2-(1H-pyrrol-2-yl)-1H-benzo[d]imidazole derivatives were synthesized and their antioxidant activities were investigated using lipid peroxidation (LPO) and 7-ethoxyresorufin O-deethylase (EROD) assays. Docking analysis with Human NAD[P]H-Quinone oxidoreductase 1 (NQO1) was also performed to gather thorough information about these compounds that have antioxidant activities. Moreover, their molecular descriptors and ADME properties were calculated using the SwissADME online program. As a result, most of our compounds possessed better affinity and created ample interactions with NQO1. The most potent compound 5j had LP inhibition value of 3.73 nmol/mg/min. Other compounds exhibited moderate activity on LP levels comparing to standard butylated hydroxy toluene (BHT). However, the inhibitory effect on EROD activity was not significant.

Keywords

Synthesis, antioxidant activity, pyrrole-benzimidazole, molecular docking, lipid peroxidation

First Page

890

Last Page

902

Recommended Citation

KARADAYI, FİKRİYE ZENGİN; BAŞARAN, RAHMAN; KIŞLA, MEHMET MURAT; EKE, BİNAY; and ALAGÖZ, ZEYNEP (2022) "Synthesis, antioxidant activity, molecular docking and ADME studies of novel pyrrolebenzimidazolederivatives," Turkish Journal of Chemistry: Vol. 46: No. 3, Article 23. https://doi.org/10.55730/1300-0527.3377
Available at: https://journals.tubitak.gov.tr/chem/vol46/iss3/23