(-)-Kusunokinin as a Potential Aldose Reductase Inhibitor: Equivalency Observed via AKR1B1 Dynamics Simulation

• Main Authors: Tanotnon Tanawattanasuntorn, Tienthong Thongpanchang, Thanyada Rungrotmongkol, Chonnikan Hanpaibool, Potchanapond Graidist, Varomyalin Tipmanee
• Other Authors: Chulalongkorn University
• Format: Article
• Published: 2022
• Subjects: Chemical Engineering; Chemistry
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/76550
• Institution: Mahidol University

(-)-Kusunokinin performed its anticancer potency through CFS1R and AKT pathways. Its ambiguous binding target has, however, hindered the next development phase. Our study thus applied molecular docking and molecular dynamics simulation to predict the protein target from the pathways. Among various c...