Table 1.

XP GScore, glide energy, and glide model of coffee oil and olive oil compounds on MDM2 (6GGN).

	Name	PubChem CID	XP GScore	Glide Energy	Glide Emodel
MDM2 (6GGN)	coffee oil compounds
	Chlorogenic acid	1794427	−7.564	−36.496	−49.551
	Kahweol	114778	−4.719	−22.304	−26.808
	Cafestol	108052	−4.584	−25.19	−17.839
	Oleic acid	445639	−4.204	−31.943	−34.117
	Caffeine	2519	−4.024	−24.182	−30.139
	Linoleic acid	5280450	−3.38	−34.192	−33.195
	Palmitic acid	985	−2.895	−26.24	−30.925
	olive oil compounds
	Oleuropein	5281544	−7.652	−44.215	−54.288
	Hydroxytyrosol	82755	−5.91	−21.452	−22.75
	Tyrosol	10393	−4.474	−18.42	−19.683
	Squalene	638072	−3.949	−33.026	−35.897
	Oleic acid	445639	−3.909	−32.642	−33.767
	Linoleic acid	5280450	−3.38	−34.192	−33.195
	Stearic acid	5281	−3.317	−31.351	−34.989
	Palmitic acid	985	−3.263	−27.325	−29.101
Control	P53 and MDM2 Protein-Interaction-Inhibitor	17754765	−5.7	−16.3	−14.4