Synthesis, antimicrobial evaluation, and molecular docking studies of novel chromone based 1,2,3-triazoles

Abstract

In Search of novel antimicrobial agents with improved potency, we designed and synthesized a series of 3-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)-2-(4-fluorophenyl)-4H-chromen-4-ones 5a-f using click chemistry. The structures of synthesized compounds were found using IR, 1 H NMR, 13 C NMR, and MS. All the synthesized compounds were assayed for their in vitro antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa and antifungal activity against Candida albicans, Candida glabrata, and Candida tropicalis by micro broth dilution method. The antimicrobial data suggested that from the series, compounds 3e, 4e, 5e, and 5f shows pronounced antimicrobial activity against the tested strain with low MIC value. Molecular docking study was used to rationalize binding interaction at the active site and the results showed good binding interaction.Electronic supplementary material The online version of this article (

Ultrasound‐Mediated Synthesis of Novel 1,2,3‐Triazole‐Based Pyrazole and Pyrimidine Derivatives as Antimicrobial Agents

“…The key starting material, 3‐((1‐benzyl‐1 H ‐1,2,3‐triazol‐4‐yl)methoxy)‐2‐(4‐fluorophenyl)‐4 H ‐chromen‐4‐one 5 ( a–f ), was synthesized in our previous report (Scheme ). We have synthesized novel triazole‐based pyrazole derivatives 6 ( a–f ) and triazole‐based pyrimidine derivatives 7 ( a–f ) under conventional method as well as ultrasound irradiation method.…”

Novel O‐Alkylated Chromones as Antimicrobial Agents: Ultrasound Mediated Synthesis, Molecular Docking and ADME Prediction

“…We have synthesized novel O‐alkylated chromone derivatives 4a–f under conventional method as well as ultrasound irradiation method. The key starting material, 3‐hydroxy chromones 3a–f was synthesized in our previous report (Scheme ). 3‐Hydroxy chromones 3a–f have been alkylated with allyl bromide in the presence of K 2 CO 3 in N , N′ ‐DMF at the room temperature to furnish the desired product 4a–f (Scheme ).…”

Glycerol Mediated Synthesis, Biological Evaluation, and Molecular Docking Study of 4‐(1H‐pyrazol‐4‐yl)‐polyhydroquinolines as Potent Antitubercular Agents

“…For performing the study, structure of enoyl‐ACP reductases was taken from PDB entry 4U0J . The procedure for molecular docking was followed as per our recently published literature .…”