Interactions between 1α,25(OH)2D3 and residues in the ligand-binding pocket of the vitamin D receptor: A correlated fragment molecular orbital study

Journal of Steroid Biochemistry and Molecular Biology

Volumn 121, Issue 1-2, 2010, Pages 63-67

  Yamagishi, Kenji ^a   Tokiwa, Hiroaki ^a   Makishima, Makoto ^b   Yamada, Sachiko ^a,b,c  

^a RIKKYO UNIVERSITY   (Japan)

^b NIHON UNIVERSITY   (Japan)

^c TOKYO MEDICAL AND DENTAL UNIVERSITY   (Japan)

Author keywords

Ab initio fragment molecular orbital calculation; Alanine scanning mutational analysis; Interfragment interaction energy analysis; Ligand receptor interaction; Van der Waals dispersion interaction energy; Vitamin D receptor

Indexed keywords

1,25 DIHYDROXYERGOCALCIFEROL; ALANINE; VITAMIN D RECEPTOR; CALCITRIOL; CALCITRIOL RECEPTOR; LIGAND; RETINOID X RECEPTOR;

AB INITIO CALCULATION; ARTICLE; CHEMICAL INTERACTION; DISPERSION; ENERGY; FRAGMENT MOLECULAR ORBITAL; LIGAND BINDING; METHODOLOGY; MUTATIONAL ANALYSIS; PROTEIN FOLDING; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG DESIGN; HUMAN; HYDROGEN BOND; NUCLEOTIDE SEQUENCE; PROTEIN BINDING; STATIC ELECTRICITY;

ALANINE; ALLOSTERIC SITE; CALCITRIOL; DNA MUTATIONAL ANALYSIS; DRUG DESIGN; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN FOLDING; RECEPTORS, CALCITRIOL; RETINOID X RECEPTORS; STATIC ELECTRICITY;

EID: 77954762254     PISSN: 09600760     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jsbmb.2010.03.028     Document Type: Article

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