Prophylactic Treatment of Probiotic and Metformin Mitigates Ethanol-Induced Intestinal Barrier Injury: In Vitro, In Vivo, and In Silico Approaches

Table 3

Binding energies and amino acid interaction for Met and butyrate on performing molecular docking with respective protein structures.

Protein	Ligand	Binding energy (kcal/mol)	Amino acid interactions
Nrf-2	SLLD Met	-6.0	ILE: 559, VAL: 606, GLY: 367, GLY: 418, VAL: 512, VAL: 465
	SLLD butyrate	-3.4	GLY: 605, ILE: 559, GLY: 367, VAL: 606
	MLSD Met and butyrate	-9.7	ILE: 559, GLY: 367, GLY: 558, VAL: 463, VAL: 604, LEU: 365, LEU: 557
HO-1	SLLD Met	-5.7	TYR: 286, ILE: 419, SER: 418, GLU: 565, HIS: 620, GLU: 623
	SLLD butyrate	-4.7	ALA: 272, SER: 267, GLN: 268, TYR: 321, THR: 269
	MLSD Met and butyrate	-8.9	PHE: 699, THR: 188, THR: 703, LYS: 700, HIS: 803, GLU: 402, GLU: 623, LEU: 624, LEU: 625
GPR109A	SLLD Met	-4.9	ASN: 321, ASN: 320, ARG: 308, SER: 323, THR: 324, ARG: 311
	SLLD butyrate	-3.4	ILE: 162, ALA: 142, ASN: 65, PHE: 64, TRP: 56
	MLSD Met and butyrate	-9.7	ILE: 162, ALA: 142, ASN: 65, PHE: 64, TRP: 56, ASN: 321, ASN: 320, ARG: 308, SER: 323, THR: 324, ARG: 311
SLC5A8	SLLD Met	-5.1	GLN: 249, PHE: 458, GLY: 462
	SLLD butyrate	-4.7	GLN: 82, THR: 63
	MLSD Met and butyrate	-8.3	GLN: 82, THR: 63, VAL: , 281, GLN: 249, GLY: 412, GLY: 242