Future Journal of Pharmaceutical Sciences

Table 5 Adsorption and distribution properties of best docked phytocompounds when considered to have drug-likeness

From: Gymnema sylvestre as a potential therapeutic agent for PCOS: insights from mRNA differential gene expression and molecular docking analysis

Ligand	PubChem CID	Pgp-sub	HIA	Caco-2	BBB	PPB	VDs
Lupeol	259846	0	0.008	− 5.02	0.792	98.80%	1.731
beta-Amyrin	73145	0	0.03	− 5.034	0.749	99.78%	1.82
beta-Elemene	6918391	0	0.003	− 4.485	0.216	85.36%	2.128
Stigmasterol	5280794	0.001	0.005	− 4.668	0.691	98.67%	2.408
Gymnestrogenin	15560302	0.006	0.268	− 4.886	0.877	87.16%	1.077
Dammarane	9548714	0	0.008	− 5.041	0.515	98.46%	2.491

Pgp-sub: the substrate of P-glycoprotein; HIA: Human intestinal absorption; Caco-2: Caco-2 Permeability; BBB: Blood–brain barrier; PPB: Plasma protein binding; VDs: Volume Distribution

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