Synthesis, biological evaluation, molecular docking and in silico ADMET screening studies of novel isoxazoline derivatives from acridone

Abstract

A series of new acridone derivatives from isoxazoline (2a-l) were synthesized via 1,3-dipolar cycloaddition reaction between a variety of aryl nitrile oxides and N-allyl acridones using simple and efficient methods. This is the first ever green protocol to synthesize novel isoxazolines derivatives from acridone under microwave condition and offers broad substrate scope with good to excellent yields. The synthesized compounds (2a-l) were tested for their antibacterial potency against four pathogenic bacterial and were found to exhibit moderate to potent antibacterial activity. Two of these compounds 2a and 2k exhibited a significant antibacterial activity against E. coli and P. putida, respectively. The in silico molecular docking results supported the antibacterial activity of the synthesized compounds. ADMET properties of the most synthetized compounds showed an excellent bioavailability, therefore, can be considered as promising drugs candidates for further studies.

Keywords

• Acridone
• Antibacterial evaluation
• Isoxazoline
• Molecular docking
• ADMET