ISSN: 0970-938X (Print) | 0976-1683 (Electronic)

Biomedical Research

An International Journal of Medical Sciences


Molecular docking of a beta-amyloid protein involved in Alzheimer?s disease with Thioflavin-T as a ligand.

Molecular docking provides tremendous useful scope for drug design and drug discovery. Molecular docking has a use in the therapeutic industry which enables us to know the interaction between ligand and protein. Also, it gives information regarding the binding site of protein where the ligand binds. Structural details, binding energy, and activation energy of chemical compounds are determined with the help of docking. In this study, the Autodock Vina tool with PyMOL visualizer is used to perform the docking between Beta-amyloid protein and Thioflavin-T ligand. This research offers the development of a high throughput method in biology and chemistry that can be used as bioinformatics tools for drug design. This method is based on molecular docking which is performed using the Windows platform. After performing molecular docking total of nine poses are generated this shows the different binding sites of protein-ligand interaction.

Author(s): Parul Singh, Neha Sharma, Bharti Choudhary
Abstract | Full-Text | PDF

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