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 nameCompound IDGlide score (kcal/mol)Glide energy (kcal/mol)
Spike protein (PDB: ID 7BZ5)
Terminalia chebula250395−11.094−47.778
Membrane protein
Syzygium aromaticum129677029−7.273−26.721

Kabasura Kudineer compounds
Nonstructural protein
Plant nameCompound IDGlide score (kcal/mol)Glide energy (kcal/mol)
Nsp14 (PDB: ID 5C8S)
Syzygium aromaticum44259583−11.688−65.163
Syzygium aromaticum44259584−11.450−57.323
Nsp13 (PDB: ID 5WWP)
Syzygium aromaticum44259583−10.850−74.079

Main protease (PDB: ID 6LU7)
Syzygium aromaticum44259584−13.337−81.395
Nsp15 (PDB: ID 6X4I)
Syzygium aromaticum44259583−13.759−77.222
Syzygium aromaticum44259584−13.791−75.686
Nsp12 (PDB: ID 6XQB)
Coleus amboinicus88583189−8.290−45.199