Research Article
[Retracted] Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins
Table 2
Glide score and glide energy of homeopathy compounds with SARS-CoV-2 structural and nonstructural proteins.
| Kabasura Kudineer compounds |
| Structural protein | Plant name | Compound ID | Glide score (kcal/mol) | Glide energy (kcal/mol) | Spike protein (PDB: ID 7BZ5) | Terminalia chebula | 250395 | −11.094 | −47.778 | Membrane protein | Syzygium aromaticum | 129677029 | −7.273 | −26.721 |
| Kabasura Kudineer compounds | Nonstructural protein | Plant name | Compound ID | Glide score (kcal/mol) | Glide energy (kcal/mol) | Nsp14 (PDB: ID 5C8S) | Syzygium aromaticum | 44259583 | −11.688 | −65.163 | Syzygium aromaticum | 44259584 | −11.450 | −57.323 | Nsp13 (PDB: ID 5WWP) | Syzygium aromaticum | 44259583 | −10.850 | −74.079 |
| Main protease (PDB: ID 6LU7) | Syzygium aromaticum | 44259584 | −13.337 | −81.395 | Nsp15 (PDB: ID 6X4I) | Syzygium aromaticum | 44259583 | −13.759 | −77.222 | Syzygium aromaticum | 44259584 | −13.791 | −75.686 | Nsp12 (PDB: ID 6XQB) | Coleus amboinicus | 88583189 | −8.290 | −45.199 |
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