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Mandelic acid-based spirothiazolidinones targeting M. tuberculosis: Synthesis, in vitro and in silico investigations

Muhammed Trawally,Kübra Demir-Yazıcı,Serap İpek Dingiş-Birgül,Kerem Kaya,Atilla Akdemir,Özlen Güzel-Akdemir

Bioorganic Chemistry（2022）

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Abstract
•A small series of new mandelic acid-based spirothiazolidinones have been synthesized.•New compounds have been evaluated for their antimycobacterial activity against Mycobacterium tuberculosis strain H37Rv.•Compound 16 have the highest inhibition value 98%.•To study the molecular structure and possible mechanism of action of compound 16, X-ray and molecular modelling studies were performed.
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Key words
4-Thiazolidinone,Spirothiazolidinone,Mandelic acid,Mycobacterium tuberculosis,Molecular docking,Molecular dynamics,Enoyl-[acyl-carrier-protein]-reductase,MtInhA
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