Table 1.

Top ten scoring drugs for SARS-CoV-2 nsp16.

Drug Name	2D Structure	AutoDock Vina Score (Energy)	Rosetta’s Energy Score (REU)		Clinical Stage
Hesperidin		−10.30		−1502.39		Phase 3/ Approved
Rebastinib		−10.20		−1498.69		Phase 2
Losulazine		−10.27		−1497.67		Phase 0
Cep-32496		−10.20		−1497.02		Phase 1
R428		−10.40		−1495.17		Phase 2
Entrectinib		−10.57		−1494.42		Approved
Osi-027		−10.50		−1492.85		Phase 1
MK3207		−10.97		−1491.61		Phase 2
Rimegepant		−10.77		−1486.36		Approved
Bolazine		−10.47		−1484.41

Note: For the drugs with multiple stereoisomers in MTiOpenScreen database, only one stereoisomer with the highest AutoDock Vina Score was listed.