Development of new antituberculous drugs based on CoMFA 3D-QSAR analysis

点击翻译按钮获取中文摘要

We explored the possibility of producing novel compounds that can target PknG protein with serine/threonine kinase activity with a modified luciferase assay. Ascreening test using the commercial library of protein kinase inhibitor including 80 chemical compounds was run, and AX20017, which is known as a specific inhibitor against PknG targeting the ATP-binding site, was used as a control inhibitor. Fourcompounds were showed a more favorable inhibition of PknG. Molecular docking analysiswas carried out. Three of the four novel compounds interacted with a central kinase domain containing the ATP-binding pocket in silico, similar to AX20017. These four novel lead-compounds are promising candidates for anti-tuberculous drugs.