Protein Modeling & Drug Docking Studies

SARS-CoV-2 Spike Glycoprotein Modelling and Docking Studies.

Bhagesh Hunakunti
2 min readJan 4, 2021
PyMOL Visualisation of Protein & Drug Docking Results

The stages that follow the design or identification of a new drug are both costly and time-consuming. The entire process of drug development can take from 12 to 15 years and cost billions of dollars, but in-silico molecular docking studies have been seen to both speed up the discovery rate and reduce (although not eliminate!) the need for expensive lab work.

Hence molecular docking studies are very crucial in speeding up drug discovery and screening processes in times such as the current COVID-19 pandemic.

In order to educate the mass about docking procedure I have created a simple course!

By the end of this project, you will construct a 3D structure of a SARS-CoV-2 protein sequence using homology modeling and perform molecular docking of drugs against this protein molecule and infer protein-drug interaction which is essential in drug screening and discovery phase.

You don’t need to install or download anything, all you need is just your browser!

This project will also introduce you to various structural databases such as PDB and online as well as locally installable protein visualization and analysis tools such as SWISS-MODEL, PyMOL, AutoDock Vina etc. essential for carrying out research in the field of bioinformatics.

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Bhagesh Hunakunti

Pursuing Masters in Bioinformatics, Digital artist and content creator. Contact: https://linktr.ee/BhageshCodebeast