title: Computational study on the interaction of flavonoids with fat mass and obesity associated protein.
abstract: Obesity is a complex metabolic disorder linked to an increased risk of the most common and severe human diseases. Several flavonoids are known to have lipolytic activity influencing lipolysis and adipogenesis in adipose cells. In the current study, the inhibitory effect of various flavonoid compounds on fat mass and obesity associated protein (FTO) was assessed. The protein structure of FTO (3LFM) was downloaded from Protein Data Bank. The inhibitory effect of flavonoids was compared with a known clinical anti obesity drug. Autodock tools were used for docking flavonoids and antiobesity drug orlistat with FTO. It was examined that flavonoid quercetin proved maximum affinity (most negative AG), while daidzein showed no affinity towards FTO. The empathy of other flavonoids was in the order of Exemestane > Kaempherol > Letrozole > Rutin. It was concluded that flavonoids (particularly quercetin) may act as an effective drug against fat mass and obesity associated protein. Anti obesity drug, orlistat was also incorporated in the studyto prove that quercetin could be a potent inhibitorfor FTO.
authors.forename: Khalid Khalaf
authors.initials: KK
authors.lastname: Alharbi
authors.forename: Rabbani
authors.initials: R
authors.lastname: Syed
authors.forename: Imran Ali
authors.initials: IA
authors.lastname: Khan
mesh_terms: D000071516:Alpha-Ketoglutarate-Dependent Dioxygenase FTO; D019440:Anti-Obesity Agents / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D003198:Computer Simulation; D005419:Flavonoids / Q000378:metabolism*; D006801:Humans; D007783:Lactones / Q000737:chemistry* / Q000378:metabolism; D008954:Models, Biological; D008958:Models, Molecular; D000077403:Orlistat; D011485:Protein Binding; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism*; D012984:Software
chemical_list: D019440:Anti-Obesity Agents; D005419:Flavonoids; D007783:Lactones; D011506:Proteins; D000077403:Orlistat; D000071516:Alpha-Ketoglutarate-Dependent Dioxygenase FTO; C526492:FTO protein, human