Title : Prodrugs of fumarate esters for the treatment of psoriasis and multiple sclerosis--a computational approach.

Pub. Date : 2013 Jan

PMID : 22940872






1 Functional Relationships(s)
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1 Density functional theory (DFT) calculations at B3LYP/6-31 G (d,p) and B3LYP/6-311+G(d,p) levels for the substituted pyridine-catalyzed isomerization of monomethyl maleate revealed that isomerization proceeds via four steps, with the rate-limiting step being proton transfer from the substituted pyridinium ion to the C=C double bond in INT1. pyridine Wnt family member 1 Homo sapiens