Table 5 Docking scores (binding affinities) of the potential inhibitors
Given ID | PubChem CID | IUPAC nomenclature | Binding affinity (Kcal/Mol) |
|---|---|---|---|
CA-074 | 6610318 | Methyl(2S)-1-[(2S,3S)-3-methyl-2-[[(2S,3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate | −6.5 |
MWL4 | 580285 | 3-(4-Fluoroanilino)-1-(3-nitrophenyl)-1-propanone | −6.7 |
MWL5 | 10446 | Neophytadiene | −5.0 |
MWL6 | 141998 | 9-Octadecyne | −4.4 |
MWL8 | 985 | n-Hexadecanoic acid | −5.0 |
MWL9 | 121304016 | Ethyl ester | −7.1 |
MWL10 | 5280435 | Phytol | −5.2 |
MWL14 | 67032353 | Pregna-5,16-dien-20-one | −8.2 |
MWL15 | 5368948 | 2-Methyl-3-propenylcyclopropanecarboxylic acid | −4.5 |
MWL17 | 246983 | Lanosterol | 8.3 |
MWL18 | 5192 | Sebacic acid | 4.8 |