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. 2022 Jul 8;27(14):4391. doi: 10.3390/molecules27144391

Table 1.

The Docking Score and binding free energy of the 3-(7-diaminomethyl-naphthalen-2-YL)-propionic acid ethyl ester and Thymidine-5′-thiophosphate) with the Drug Bank ID.

S. No. Drug Bank ID Protein Name Docking Score MMGBSA dG Bind Rotatable Bonds Ligand
Efficiency Sa
Ligand
Efficiency Ln
Evdw Ecoul
1 DB07639 RNA dependent-polymerase −8.781 45.78 9 −1.955 −9.34 −33 −35.6
2 DB08432 Replication transcription −8.582 55.492 5 −1.042 −3.609 −27.6 −43.4