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. 2022 Jun 24;298:121565. doi: 10.1016/j.seppur.2022.121565

Table 5.

The docking situation between Mpro, RdRp and ACE2 and compounds of M.bontioides.

Protein Name Target Point (PDB ID) Docking radius Compounds -CDocker Internation Energy
Mpro 6LU7 13.8214 prunasin 37.774
acteoside 71.9157
5,7-dihydroxy flavanone 30.5644
anthemisol 50.2534
7-methoxyaromadenrin 40.4454
RdRp 6XQB 17.1374 prunasin 4.23179
acteoside 25.3492
5,7-dihydroxy flavanone 5.96044
anthemisol 20.9511
7-methoxyaromadenrin 8.67025
ACE2 2AJF 34.7755 prunasin 0
acteoside −0.00289805
5,7-dihydroxy flavanone 0.030233
anthemisol 0.0166443
7-methoxyaromadenrin 0.00073645