теория функционала плотности

The role of spatial and electronic  structure, hydrophobic  properties and concentration of organoselenium compounds  on their interaction with fungal metabolites  - carbohydrate-binding proteins, extracellular lectins  of Lentinula edodes (shiitake mushroom) has  been consi­ dered. By  the hybrid density  functional theory  method at the B3LYP/6-31G(d,p) theory  level, spatial and electronic  structure of the 1,5-di(4-R-phenyl)-3-selenopentanediones-1,5 molecules  has  been studied.

Higher fungi – basidiomycetes play significant role as food and biological subjects for establishing the regularities of the living systems’ operation, development and response to the different-nature effectors impact. Insufficient activity of the living organisms’ antioxidant system interfering the ability of overcoming the negative consequences of oxidative stress (excessive level of free radicals in cells) is believed to be a reason for the organisms aging and death.