<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "Role of Cys-298 in specific recognition of glutathione by aldose reductase"^^ . "Aldose reductase (AR) is an NADPH-dependent oxidoreductase that is well-studied for its role in Diabetes Mellitus. Glutathione conjugated aldehydes are efficiently catalysed by AR. We have employed molecular dynamics simulations to investigate the dynamics of a glutathione analog, γ-glutamyl-S-(1,2-di-carboxyethyl)-cysteinyl-glycine (DCEG), into the binding pocket of AR. Study revealed that backbone nitrogens of Ala-299 and Leu-300 form a tiny pocket gated by thiol group of Cys-298. The glycine moiety of DCEG was able to displace the thiol group of Cys-298 to make hydrogen bond interactions with backbone of Ala-299, Leu-300, and Leu-301. This study provides the details of the dynamic interactions of DCEG in the binding pocket of AR, and shall aid in the design/discovery of differential inhibitors against AR.Communicated by Ramaswamy H. Sarma."^^ . "2021-02-25" . . "JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS"^^ . . . . . . . . . . . . . . "Gurprit"^^ . "Sekhon"^^ . "Gurprit Sekhon"^^ . . "Ranvir"^^ . "Singh"^^ . "Ranvir Singh"^^ . . "Balvinder"^^ . "Singh"^^ . "Balvinder Singh"^^ . . . . . "HTML Summary of #2741 \n\nRole of Cys-298 in specific recognition of glutathione by aldose reductase\n\n" . "text/html" . . . "QR Microbiology"@en . .