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©The Author(s) 2022.
World J Hepatol. Jun 27, 2022; 14(6): 1131-1141
Published online Jun 27, 2022. doi: 10.4254/wjh.v14.i6.1131
Published online Jun 27, 2022. doi: 10.4254/wjh.v14.i6.1131
Table 1 Type of interaction and bond size between amino acid residues of proteins and inhibitors
| Protein | Residues | Type | Bond size (Å) |
| mTORC1 | HIS 2024 | Pi-Alkyl | 4.99 |
| GLU 2080 | Carbon hydrogen bond | 3.45 | |
| GLN 2099 | Hydrogen bond | 2.70 | |
| ARG 2110 | Carbon hydrogen bond | 3.44 | |
| 12 residues | Van der Waals | - | |
| Akt | ILE 367 | Pi-Alkyl | 5.04 |
| ALA 382 | Pi-Alkyl | 5.02 | |
| LEU 385 | Amide-Pi | 3.90 | |
| LYS 386 | Pi-Alkyl | 5.25 | |
| LYS 386 | Pi-Cation | 3.08 | |
| LYS 386 | Pi-Cation | 4.19 | |
| LYS 386 | Pi-Cation | 4.94 | |
| LYS 387 | Pi-Alkyl | 5.22 | |
| LYS 387 | Pi-Alkyl | 5.19 | |
| ASP 388 | Hydrogen bond | 3.08 | |
| ASP 388 | Pi-Sigma | 3.67 | |
| GLN 391 | Hydrogen bond | 2.61 | |
| 3 residues | Van der Waals | - | |
| Furin | TRP 531 | Pi-Pi T-shaped | 4.97 |
| TRP 531 | Pi-Pi T-shaped | 4.95 | |
| ALA 532 | Hydrogen bond | 2.57 | |
| ALA 532 | Pi-Alkyl | 4.98 | |
| ALA 532 | Pi-Sigma | 3.94 | |
| GLN 488 | Hydrogen bond | 3.12 | |
| 12 residues | Van der Waals | - |
- Citation: Peiter GC, de Souza CBT, de Oliveira LM, Pagliarin LG, dos Anjos VNF, da Silva FAF, de Melo FF, Teixeira KN. COVID-19 liver and gastroenterology findings: An in silico analysis of SARS-CoV-2 interactions with liver molecules. World J Hepatol 2022; 14(6): 1131-1141
- URL: https://www.wjgnet.com/1948-5182/full/v14/i6/1131.htm
- DOI: https://dx.doi.org/10.4254/wjh.v14.i6.1131