%0 Journal Article
%T Mouse 11¦Â-Hydroxysteroid Dehydrogenase Type 2 for Human Application: Homology Modeling, Structural Analysis and Ligand-Receptor Interaction
%A Hideaki Yamaguchi
%A Tatsuo Akitaya
%A Yumi Kidachi
%A Katsuyoshi Kamiie
%A Toshiro Noshita
%A Hironori Umetsu and Kazuo Ryoyama
%J Cancer Informatics
%D 2012
%I 
%R 10.4137/CIN.S8725
%X Mouse (m) 11¦Â-hydroxysteroid dehydrogenase type 2 (11¦ÂHSD2) was homology-modeled, and its structure and ligand-receptor interaction were analyzed. The modeled m11¦ÂHSD2 showed significant 3D similarities to the human (h) 11¦ÂHSD1 and 2 structures. The contact energy profiles of the m11¦ÂHSD2 model were in good agreement with those of the h11¦ÂHSD1 and 2 structures. The secondary structure of the m11¦ÂHSD2 model exhibited a central 6-stranded all-parallel ¦Â-sheet sandwich-like structure, flanked on both sides by 3-helices. Ramachandran plots revealed that only 1.1% of the amino acid residues were in the disfavored region for m11¦ÂHSD2. Further, the molecular surfaces and electrostatic analyses of the m11¦ÂHSD2 model at the ligand-binding site exhibited that the model was almost identical to the h11¦ÂHSD2 model. Furthermore, docking simulation and ligand-receptor interaction analyses revealed the similarity of the ligand-receptor bound conformation between the m11¦ÂHSD2 and h11¦ÂHSD2 models. These results indicate that the m11¦ÂHSD2 model was successfully evaluated and analyzed. To the best of our knowledge, this is the first report of a m11¦ÂHSD2 model with detailed analyses, and our data verify that the mouse model can be utilized for application to the human model to target 11¦ÂHSD2 for the development of anticancer drugs.
%U http://www.la-press.com/mouse-11-hydroxysteroid-dehydrogenase-type-2-for-human-application-hom-article-a2939