title: Lose weight with traditional chinese medicine? Potential suppression of fat mass and obesity-associated protein.
abstract: Overweight and obesity are common health problems in modern society, particularly in developed countries. Excessive body mass has been linked to numerous diseases, such as cardiovascular diseases, diabetes, and cancer. Fat mass and obesity-associated protein (FTO) activity have direct impact on food intake and results in obesity. Inhibition of FTO activity may cause weight loss and reduce obese-linked health risks. We investigated the potential weight loss effects of traditional Chinese medicine (TCM), particularly by inhibiting FTO functions. Molecular docking was performed to screen TCM compounds from TCM Database@Taiwan (http://tcm.cmu.edu.tw). Three candidates were identified that contained either a tetrahydropyridine group or potent electronegative phenol group in the structure scaffold. Molecular dynamics simulation analysis of the docking poses of each complex indicated stabilizing trends in the protein-ligand complex movements. In addition, the number of hydrogen bonds increased throughout the 20 ns simulation. These results suggest that these TCM candidates could be potential FTO inhibitors through competitive inhibition.
authors: Department of Bioinformatics, Asia University, Taichung 41354, Taiwan.
authors: Pei-Chun
authors: PC
authors: Chang
authors: Jing-Doo
authors: JD
authors: Wang
authors: Min-Min
authors: MM
authors: Lee
authors: Su-Sen
authors: SS
authors: Chang
authors: Tsung-Ying
authors: TY
authors: Tsai
authors: Kai-Wei
authors: KW
authors: Chang
authors: Fuu-Jen
authors: FJ
authors: Tsai
authors: Calvin Yu-Chian
authors: CY
authors: Chen
mesh_terms: D000071516:Alpha-Ketoglutarate-Dependent Dioxygenase FTO; D019440:Anti-Obesity Agents / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D001835:Body Weight / Q000187:drug effects*; D016208:Databases, Factual; D006801:Humans; D006860:Hydrogen Bonding; D008516:Medicine, Chinese Traditional; D009765:Obesity / Q000188:drug therapy; D011487:Protein Conformation; D011506:Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D015431:Weight Loss
chemical_list: D019440:Anti-Obesity Agents; D011506:Proteins; D000071516:Alpha-Ketoglutarate-Dependent Dioxygenase FTO; C526492:FTO protein, human