Virtual Discovery of a Novel Natural GLP Agonist for Diabetes Management
Mohamed Abdelaty
Department of Chemistry, University of Tennessee
My research introduces 10-epi-xanthobaccin C as a novel, natural GLP agonist identified to potentially surpass the benefits of Pfizer's Danuglipron in diabetes treatment. Emphasizing oral administration, this study utilized streamlined virtual screening and molecular dynamics simulations to validate its superiority. This advancement not only expands therapeutic options but also highlights the potential of natural compounds in enhancing drug profiles and patient adherence.1
Interactive Structures
Color Legend:
- Red Spheres = Water molecules
- Green Spheres = Cl- Ion
- Purple Spheres = Na+ Ion
- Grey Ball and Stick Model = 10-epi-xanthobaccin C
References
David A. Griffith, David J. Edmonds, Jean-Philippe Fortin, Amit S. Kalgutkar, J. Brent Kuzmiski, Paula M. Loria, Aditi R. Saxena, Scott W. Bagley, Clare Buckeridge, John M. Curto, David R. Derksen, João M. Dias, Matthew C. Griffor, Seungil Han, V. Margaret Jackson, Margaret S. Landis, Daniel Lettiere, Chris Limberakis, Yuhang Liu, Alan M. Mathiowetz, Jayesh C. Patel, David W. Piotrowski, David A. Price, Roger B. Ruggeri, and David A. Tess
Journal of Medicinal Chemistry 2022 65 (12), 8208-8226 , doi: https://doi.org/10.1021/acs.jmedchem.1c01856
posted: May 2024.
updated: May 2024.