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- W4382501610 abstract "Fifteen 1,2,4-triazole derivatives were synthesised in this study and their MIC values against Mycobacterium tuberculosis (Mtb) ranged from 2 to 32 μg/mL. Furthermore, their antimycobacterial activity was positively correlated with the KatG enzyme docking score. Among the 15 compounds, compound 4 showed the strongest bactericidal activity with an MIC of 2 μg/mL. The selectivity index of compound 4 is more than 10, indicating that the compound has low toxicity to animal cells and has the potential to become a drug. Molecular docking indicates that compound 4 can bind firmly to the Mtb KatG active site. The experimental results showed that compound 4 inhibited Mtb KatG and caused the accumulation of ROS in Mtb cells. We speculate that compound 4 causes the accumulation of ROS by inhibiting KatG, and ROS produces oxidative destruction, leading to the death of Mtb. This study provides a new idea for the development of novel anti-Mtb drugs." @default.
- W4382501610 created "2023-06-30" @default.
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- W4382501610 date "2023-06-29" @default.
- W4382501610 modified "2023-10-17" @default.
- W4382501610 title "Synthesis, antimycobacterial evaluation, and molecular docking study of 1,2,4-triazole derivatives" @default.
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- W4382501610 doi "https://doi.org/10.1080/14756366.2023.2229070" @default.
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