Visnagin alleviates rheumatoid arthritis via its potential inhibitory impact on malate dehydrogenase enzyme: in silico, in vitro, and in vivo studies

Table 3 Docking scores of all compounds with the target protein

Compounds	Malat dehydrogenase (MDH1) protein
Compounds	Docking Score (ΔGbind)	Docked complex (amino acid–ligand) interactions
VIS	-9.760	H-donor SER242 ASN131 π- cation HIS187 Electrostatic interactions ILE235, ILE26, SER241 ALA246, LEU158, LEU155, GLY130, SER89, VAL129, MET90
MTX (Reference drug)	-7.012	H-donor GLN228 H-Acceptor ASN131 Electrostatic interactions HIS 187, ILE16, GLY231, PRO91 GLY14

ISSN: 1865-3499