Abstract
Objectives: Synthesis of novel 2-(benzofuran-2-yl) and 2-(furan-2-yl) quinoline-4- carboxylates and their [2-(1-benzofuran-2-yl) quinolin-4-yl] methanol, [2-(1-furan-2-yl) quinolin-4-yl] methanol and its derivatives for antioxidant, antimicrobial and ADMET study.Methods: Synthesis was carried with conventional method and the structures were confirmed by IR, 1H NMR, 13C NMR and mass spectral analysis. The antioxidant activity was performed by DPPH and H2O2 radical scavenging method. Antimicrobial investigation was established by cup plate and food poison technique. The in silico absorption, distribution, metabolism, excretion and toxicity (ADMET) study of the drug was carried out in ACD/lab-2.Results: The antioxidant activity results revealed that, compounds 4b-c, 5a-b, 10c and 10f exhibited good DPPH radical and hydrogen peroxide scavenging activity. The antibacterial results revealed that, compounds 4c, 5a-b, 10b, 10d and 10f exhibited good activity against Escherichia coli, Klebsiella pneumonia and Salmonella typhimurium. Further, the antifungal activity results showed that, compounds 4c, 5c and 10c-e were showing good activity against Aspergillus flavus and Candida neoformans. The mean value of P<0.05 were considered to be statistically significant. The ADMET results revealed that compounds emerged as a potential candidate for antioxidant and antimicrobial agents.Conclusion: The study reveals that compounds containing furan/benzofuran coupled heterocycles are play the important role for activity as they possess potent antioxidant and antimicrobial agents. The in silico ADME analysis also suggesting the compounds were in acceptable range to obey the pharmacokinetic parameters.
Highlights
Free radicals are species capable of free existence that contains one or more unpaired electrons which react with another molecule by accepting or donating the electrons [1]
Furan and its analogues were found to be biologically useful. 2-(furan-2-yl) quinoline-4-carboxylic acid and its analogues were reported to have the inhibiting property of C. albicans prolyl-tRNA synthetase and showed potent in vitro antifungal activities against dermatophytes [20, 21], 2-(furan-2-yl)-4-(phenoxy) quinoline derivatives were screened for cytotoxicity and anti-inflammatory activities [22], 4
Molecules were made to predict ADMET/SAR in silico, the synthesized molecules are in an acceptable range were further screened for antioxidant analysis with DPPH and H2O2 scavenger methods and antimicrobial activity
Summary
Free radicals are species capable of free existence that contains one or more unpaired electrons which react with another molecule by accepting or donating the electrons [1]. The harmful intervention of reactive oxygen species (ROS) in normal metabolic processes leads to pathologic changes which is a consequence of their interaction with biomolecules inside and outside the cells [2, 3]. ROS contain molecules like hydrogen peroxide (H2O2); hydroxyl radical (·OH) and superoxide (Oz-), by the generation of ROS, there is an alteration in the normal functioning of the cell and leads to pathophysiological changes. 2-(furan-2-yl) quinoline-4-carboxylic acid and its analogues were reported to have the inhibiting property of C. albicans prolyl-tRNA synthetase and showed potent in vitro antifungal activities against dermatophytes [20, 21], 2-(furan-2-yl)-4-(phenoxy) quinoline derivatives were screened for cytotoxicity and anti-inflammatory activities [22], 4- Furan and its analogues were found to be biologically useful. 2-(furan-2-yl) quinoline-4-carboxylic acid and its analogues were reported to have the inhibiting property of C. albicans prolyl-tRNA synthetase and showed potent in vitro antifungal activities against dermatophytes [20, 21], 2-(furan-2-yl)-4-(phenoxy) quinoline derivatives were screened for cytotoxicity and anti-inflammatory activities [22], 4-
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