Table 5 Docking scores of RHE major constituents against elastase, hyaluronidase and collagenase as compared to the control, 1,10-phenanthroline.

From: Rosmarinus officinalis L. hexane extract: phytochemical analysis, nanoencapsulation, and in silico, in vitro, and in vivo anti-photoaging potential evaluation

Compound

Compound structure

Glide G-score

Elastase

Collagenase

Hyaluronidase

Verbenone

− 5.327

− 5.281

− 3.829

α-Amyrin

− 4.563

− 3.508

− 3.398

Camphor

− 4.273

− 5.402

− 4.515

β-Amyrin

− 3.515

− 3.765

− 3.339

Lupeol acetate

− 3.267

− 3.465

− 2.072

Octacosane

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− 2.424

− 3.903

− 0.698

Triacontane*

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*

− 2.95

− 0.885

Doctriacontane*

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*

− 4.767

− 0.775

Tetratriacontane*

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*

*

*

1,10-Phenanthroline

− 4.556

− 6.931

− 4.714

  1. *Compounds were rejected by the docking engine due to their exceedingly large size.
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