Table 1.

Glide SP docking score of the top Bedaquiline analogs against Mycobacterial ATP synthase

Compound code	Docking score	Glide gscore	Glide emodel
	− 5.636	− 5.64	− 65.052
	− 5.593	− 5.597	− 65.642
	− 5.576	− 5.577	− 66.983
	− 5.503	− 5.497	− 64.74
	− 5.501	− 5.505	− 65.332
	− 5.488	− 5.491	− 62.115
	− 5.404	− 5.475	− 56.017
	− 5.377	− 5.379	− 60.10
	− 5.375	− 5.378	− 63.21
	− 5.357	− 5.361	− 63.928