Hydrogen Bonding Interactions between Vitamin-D Derivatives and Amino Acid Residues in VDR (IMAGE)

Toyohashi University of Technology (TUT)

Hydrogen Bonding Interactions between Vitamin-D Derivatives and Amino Acid Residues in VDR

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Hydrogen bonding interactions between vitamin-D derivatives and amino acid residues in VDR; (a) derivative 1 and (b) derivative 2 that have the same chemical structures but different chiralities. Our ab initio molecular simulations demonstrated that derivative 1 interacts with Hie397 and Hie305, while derivative 2 interacts with different protonated histidine residues, such as Hid397 and Hie305, indicating that the difference in chirality of the derivatives can induce changes in histidine protonation states of the VDR protein.

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COPYRIGHT (C) TOYOHASHI UNIVERSITY OF TECHNOLOGY. ALL RIGHTS RESERVED.

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