Screening Potential Inhibitors of 11β-hydroxysteroid Dehydrogenase Type 1 for Antidiabetic Drug Development from TCM (Traditional Chinese Medicine) Compound Library
Minh-Quang Bui *
School of Biotechnology, International University, VNU-HCMC, Vietnam.
Dac-Thanh Van
Department of Life Science, Institute for Computational Science and Technology, Vietnam.
Ly Le
School of Biotechnology, International University, VNU-HCMC, Vietnam and Department of Life Science, Institute for Computational Science and Technology, Vietnam.
*Author to whom correspondence should be addressed.
Abstract
Aims: 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) is an enzyme being responsible for converting cortisone to cortisol which promotes gluconeogenesis in the liver and oppose the action of insulin by directly inhibiting β-cell insulin secretion in the pancreas and peripheral glucose uptake in the muscle. The present study was carried out to screen the potential inhibitors of 11βHSD1 for antidiabetic drug development.
Study Design: From Traditional Chinese Medicine (TCM) compounds, there are 30 chosen compounds can be made the antidiabetic drugs by Autodock Vina and MD simulations method.
Place and Duration of Study: Institute for Computational Science and Technology.
Methodology: Screening the compounds from Traditional Chinese Medicine compounds then docking to the refined protein and calculate the predicted Ki.
Results: 30 chosen compounds and their structures can be used as the antidiabetic drug.
Conclusion: The result promises the new antidiabetic drug with low cost, and safer.
Keywords: 1βHSD1, antidiabetic drug, TCM library, inhibitors