Table 1.

Molecular docking analysis of complexes formed by S. monoica derived compounds with caspase-3 and caspase-7.

Ligands	Caspase-3		Caspase-7
	Binding energy (kcal mol−1)	Binding affinity (M−1)	Binding energy (kcal mol−1)	Binding affinity (M−1)
Ligand control*	−5.8	1.79 × 104	−9.6	1.10 × 107
Norsesquaterpenol	−7.4	2.68 × 105	−8.0	7.37 × 105
Suaedanortriterpenedione	−5.5	1.08 × 104	−6.2	3.53 × 104
Aromatic monoterpenic ester	−5.5	1.08 × 104	−5.7	1.52 × 104
Norditerpenic xyloside	−6.6	6.93 × 104	−7.6	3.75 × 105
Alkylated β-naphthol	−6.1	2.98 × 104	−6.6	6.93 × 104
β-methoxy naphthalene	−5.8	1.79 × 104	−6.3	4.18 × 104

*Ligand controls: TQ8 (N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide) for caspase- 3 and Acetyl-YVAD-CHO for caspase-7.