Computational protocol: In Silico Study of Alkaloids as α-Glucosidase Inhibitors: Hope for the Discovery of Effective Lead Compounds

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Protocol publication

[…] In this research studies, we have generated the three-dimensional structure of the glucosidase by using the Molecular Operating Environment (MOE) software, and molecular docking study was performed on the same software. The MOE-Dock was used as docking software implemented in MOE, and ligplot is implemented in MOE for the purpose to visualize the interaction between protein and ligand. [...] For the sequence alignment of the target protein, α-glucosidase and template protein (PDB ID: 3A47−A), multiple sequence alignment (MUSCLE) was employed () server. The ClustalW program from the MUSCLE server was used for the alignment of the target-template sequence. […]

Pipeline specifications

Software tools MUSCLE, Clustal W
Application Nucleotide sequence alignment
Diseases Diabetic Angiopathies, Hyperglycemia