New ¿-Glucosidase as Antidiabetic Inhibitors: In silico Approaches

In this book, different Computer Aided Drug Design (CADD) methods were used to design new inhibitors that can be used to treat diabetes disease. 3-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) and molecular docking approaches were applied to discover and rationalize novel bioactive nitrogen-containing heterocyclic molecules as new ¿-glucosidase inhibitors. In addition, Lipinski's rule of five and ADME/Tox pharmacokinetics were also used to assess the oral bioavailability and study the toxicity of newly designed molecules. All in silico methods show promising results as anti-diabetic candidate drugs. Also, no chemical similarity between the designed compounds and the drugs used and studied in the literature or databases. Therefore, the results obtained in this book encourage further experimental and scientific studies of newly designed compounds, which could be anti-diabetic agents with high inhibitory potency. We will focus our discussion in this book on the many interesting scientific articles published by our research group in a number of reputed national and international journals.