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Table 5 Assessment of molecular docking of emetine with SARS-CoV-2 Mpro and DDP4

From: Exploring the potential mechanism of emetine against coronavirus disease 2019 combined with lung adenocarcinoma: bioinformatics and molecular simulation analyses

 

Affinity (kcal/mol)

Hydrogen bonds

Interacting residues

Mpro

 Emetine

− 7.8

2

GLU-166 and ASN-142

DDP4

 Emetine

− 8.7

3

TYR547, TYR585, and GLN553

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BMC Cancer

ISSN: 1471-2407

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