A computational perspective on the dynamic behaviour of recurrent drug resistance mutations in the pncA gene from <i>Mycobacterium tuberculosis</i>

and PZA. In the G97D mutant, reported as most lethal, mutation causes the binding pocket to change considerably, so that the position of PZA has a large movement in the binding pocket. In this study, the resistance mechanism of PZA at the atomic level is proposed. The proposed drug-resistance mechanism will provide valuable guidance for the design of anti-tuberculosis drugs.