Towards the interaction mechanism of tocopherols and tocotrienols (vitamin E) with selected metabolizing enzymes - PubMed (original) (raw)
Towards the interaction mechanism of tocopherols and tocotrienols (vitamin E) with selected metabolizing enzymes
Jyoti Upadhyay et al. Bioinformation. 2009.
Abstract
Vitamin E is a mixture of eight compounds alpha, beta, gamma, delta- tocopherols and alpha, beta, gamma, delta- tocotrienols. Their individual role in cellular transport as antioxidants and in metabolic pathways has been highlighted in the present work. All the eight compounds have been docked with the respective metabolizing enzymes (alpha-tocopherol transfer protein (ATTP), alpha-tocopherol associated protein (TAP), P-glycoprotein (P-gly) and human serum albumin (HSA)) to understand molecular interactions for pharmacokinetics. These have been structurally aligned against the four human phospholipids in order to reveal their individual role in chylomicron formation and hence the mechanism of cellular transport. The study of their binding with their metabolizing enzymes provides insight to the comparative antioxidant activity of each of these isomers.
Keywords: antioxidant; docking data; enzymes; mechanism; vitamin E.
Figures
Figure 1
The docked conformation of αtocotrienol with α TTP has two hydrogen bonded interaction with α TTP.
Figure 2
Docking data shows that gamma tocotrienol have four hydrogen bond interactions with active site residues of TAP
Figure 3
The electrostatic interactions of γ tocotrienol with the aminoacid of HSA.
Figure 4
The docked conformation of αtocotrienol with Pgp shows a single hydrogen bonded interaction
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