Synthesis, Computational Studies, and Anti-Tuberculosis Activity of Benzoxazines That Act as RAGE Inhibitors

Hanumantharayappa Bharathkumar, Surender Mohan, Sefer Baday, Peter E. Lobie*, Basappa Basappa*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Novel benzoxazines were synthesized by microwave irradiation and tested for their potential binding affinity towards receptors of advanced glycation end products (RAGE). We found that the compound (2-(2-bromophenyl)-6-methyl-2,4-dihydro-1H-benzo[d][1,3]oxazine) (3i) is a lead inhibitor of RAGE. Further, our in silico prediction that benzoxazines dock towards the AGE binding region of RAGE suggests that these ligands could bind effectively at the hydrophobic pocket of the receptor and additionally form key interactions with Arg48 and Arg104, revealing its diversity in developing anti-RAGE drugs to treat AGE–RAGE-dominant disease conditions. Functionally, we herein report the anti-tuberculosis activity of small molecules which could be bioactive in the culture of mycobacterium tuberculosis.

Original languageEnglish
Pages (from-to)254-264
Number of pages11
JournalApplied Microbiology
Volume3
Issue number1
DOIs
Publication statusPublished - Mar 2023

Bibliographical note

Publisher Copyright:
© 2023 by the authors.

Keywords

  • benzoxazine
  • microwave irradiation
  • molecular docking
  • RAGE
  • tuberculosis

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