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. 2025 Jul;17(13):1547-1558.
doi: 10.1080/17568919.2025.2527619. Epub 2025 Jul 12.

Exploring Schiff base bromhexine derivatives: study on synthesis, characterization, biological assays, molecular docking

Zarmeena Yasmeen  1 , Mohsin Abbas Khan  1   2 , Anum Masood  3 , Toseef Akram  1 , Breena  1 , Mashooq A Bhat  4 , Asim Raza  1 , Javed Ahmed  3 , Saharish Khaliq  3 , Mohamed A Al-Omar  4 , Farhat Ullah  1
Affiliations

Exploring Schiff base bromhexine derivatives: study on synthesis, characterization, biological assays, molecular docking

Zarmeena Yasmeen et al. Future Med Chem. 2025 Jul.

Abstract

Aim: Schiff bases, owing to their versatile pharmacological and industrial applications, have attracted significant attention in drug design.

Material and methods: The newly synthesized Schiff Base derivatives of bromhexine were characterized using spectral techniques, including Infrared (IR), Nuclear Magnetic Resonance (1 H NMR, 13C NMR) analyses. Pharmacokinetic studies via SwissADME web server. Antiviral screening using the hemagglutination inhibition assay identified BM9 as the most potent compound (IC50 = 3.01 ± 1.70). Antioxidant activity was assessed using the DPPH method.

Results and conclusion: Molecular docking studies against α-amylase and α-glucosidase revealed strong inhibition scores, with BM6 and BM7 emerging as the most promising candidates. This study concludes that derivatives could serve as lead compounds in the development of novel therapeutic agents.

Keywords: Drug development; computational chemistry and molecular modelling; drug design; drug discovery; enzyme inhibition.

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Conflict of interest statement

The authors have no relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript. This includes employment, consultancies, honoraria, stock ownership or options, expert testimony, grants or patents received or pending, or royalties.

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