Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations

Pharmacology, Toxicology and Pharmaceutical Science

• Diabetes Mellitus 100%
• Triazole Derivative 100%
• Quantitative Structure-Activity Relationship 100%
• Glucosidase 100%
• Absorption-Distribution-Metabolism-Excretion Toxicity 100%
• Disease 50%
• Pharmacokinetics 50%
• Biological Activity 50%
• Prevalence 50%
• Alpha Glucosidase 50%

Chemistry

• Triazole 100%
• Molecular Dynamics 100%
• Bioactivity 50%
• % Inhibition 50%
• Kd 50%
• Gibbs Free Energy 50%
• Pharmacokinetics 50%
• Computer Simulation 50%

Keyphrases

• Target Suitability 50%