Synthesis, crystal structure, molecular dynamics, docking and in-vitro studies of cyclododecanonethiosemicarbazone, a promising anti tuberculosis agent
Results in Chemistry（2023）
Abstract
•Cyclododecanonethiosemicarbazone (CDT) was prepared.•Single crystal XRD confirms it to Triclinic crystal system.•Promising antituberculosis action against Mycobacterium smegmatis.•Minimum inhibitory concentration 800 µg/mL.•Hirshfield Surface Analysis and Molecular Docking studies supports experimental studies.
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Key words
Macrocyclic ring structure, Square configuration, Thiosemicarbazone, Cyclododecanone, Hirsfeld studies, Anti-tuberculosis agent
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