Hendra Susanto, Viol Dhea Kharisma, Dwi Listyorini, Ahmad Taufiq, Sunaryono, Am Aulanni
Obesity has been established as an emerging metabolic disease worldwide. The change of global lifestyle does not only become a significant health issue in the developed countries but also in the most deprived area around the world. The administration of obesity addressed to inhibit adipogenesis by using several potential herbal drugs. Recently, black tea treatment showed an essential result whereas it can decrease cell proliferation, differentiation, and induced apoptosis. The aim of this in Silico study was to provide a comprehensive data as the confirmation to in vitro and in vivo model. We compared the potential anti-obesity properties among black tea polyphenol on the activation of insulin-like growth factor 1 receptor (IGF-1R). The molecular interaction prediction between black tea polyphenol and IGF-1R was analyzed by docking model. Our in Silico data showed that theaflavin 3,3'-digallate (TF3) had the primary function to trigger cell apoptosis, differentiation inhibition, and improved global energy-linked binding affinity between TF3 and IGF-1R. The higher value of repulsive Van der Waals energy of TF3 enhanced the alteration of stability of IGF-1 and its receptor. As a result, the binding site dynamic of molecular complex between IGF-1 and IGF-1R significantly was changed by the molecular modification on autophosphorylation domain of IGF-1R. In conclusion, black tea polyphenol, TF3 tends to become a promising future candidate for herbal therapy combating obesity and metabolic syndrome. This preliminary bioinformatics data provides a hallmark for TF3 molecular activity during adipogenesis. © Published under licence by IOP Publishing Ltd.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Jl. Semarang 5, Malang, 65145, Indonesia; Department of Biology, Faculty of Sciences, Universitas Brawijaya, Indonesia; Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Jl. Semarang 5, Malang, 65145, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Jl. Semarang 5, Malang, 65145, Indonesia; Faculty of Veterinary Medicine, Biosains Institute, Universitas Brawijaya, Indonesia
