Design, synthesis and antimycobacterial activity of benzoxazinone derivatives and open-ring analogues: Preliminary data and computational analysis.

Daniele Zampieri,Maria Grazia Mamolo,Julia Filingeri,Sara Fortuna,Alessandro De Logu,Adriana Sanna,Davide Zanon

Bioorganic & Medicinal Chemistry Letters（2019）

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摘要

•Benzoxazin-2-one and -3-one derivatives were synthesized and biologically evaluated.•Antimycobacterial evaluation (MIC) and cytotoxicity (IC50) have been reported.•Oxoacetamide-isoniazid analogues were obtained and biologically evaluated.•Compound 8a has been computationally studied.

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ADME,CC50,DprE1,HBA,HBD,IC50,INH,InhA,MD,MDR,Men-B,MetAP,MIC,MM-PBSA,Mtb,MTT,MW,NAD,NADH,RMSD,RMSF,SASA,TB

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