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. 2025 Aug 1;13:1577871. doi: 10.3389/fchem.2025.1577871

TABLE 4.

Docked compounds’ interaction energies against the collagenase and elastase active sites.

Compound name Docking scores (Kcal/mol)*
Collagenase Elastase
β- Pinene −7.9 −7.9
D- Limonene −6.8 −7.6
γ- Terpinene −7.3 −7.1

*Reference ligands energy was −7.8 and −8.9 kcal/mol, respectively.

*The RMSD from redocking of co-crystalized ligands was 0.74 and 0.83 Å.