Exploring the potential of phytoconstituents from Phaseolus vulgaris L against C-X-C motif chemokine receptor 4 (CXCR4): a bioinformatic and molecular dynamic simulations approach

Egyptian Journal of Medical Human Genetics

Table 2 List of PVL compounds

Comp. ID	Comp. class	Compounds name	PubChem ID	Molecular formula	References
F1	Flavonoid	Myricetin 3 Glucoside	44,259,426	C₂₁H₂₀O₁₃	[17]
F2	Flavonoid	Quercetin	5,280,343	C₁₅H₁₀O₇	[17, 69]
F3	Flavonoid	Quercetin 3 glucoside	25,203,368	C₂₁H₁₉O₁₂⁻	[17]
F4	Flavonoid	Kaempferol	5,280,863	C₁₅H₁₀O₆	[69]
F5	Flavonoid	Myricetin	5,281,672	C₁₅H₁₀O₈	[69]
F6	Flavonoid	Kaempferol 3 glucoside	5,282,102	C₂₁H₂₀O₁₁	[17, 69]
F7	Flavonoid	Catechin	9064	C₁₅H₁₄O₆	[69]
F8	Phenolic Acid	3,4-Dihydroxybenzoic acid	72	C₇H₆O₄	[69]
F9	Flavonoid	Tannic Acid	16,129,778	C₇₆H₅₂O₄₆	[35, 70]
F10	Flavonoid	Daidzin	107,971	C₂₁H₂₀O₉	[69]
X	Synthetic CXCR4-antagonis	Plerixafor	65,015	C₂₈H₅₄N₈	–