In Silico Approach to Construct the 3D Structures of Spike Glycoproteins of Novel Variants of Severe Acute Respiratory Syndrome Coronavirus 2

Abstract

Objective: This study aims in constructing a three-dimensional modeled Spike glycoprotein structure of novel variants of SARS CoV-2. Methods: The protein models were constructed using SWISS-Model online tool. The constructed protein models were submitted in online database called Protein Model Database (PMDB) for public access to the structures. Results: A total of 70 protein sequences of Spike glycoprotein of novel variants of SARS CoV-2 were retrieved from NCBI virus database and were subjected for sequence similarity search and homology model construction. The constructed models were subjected for Ramachandran plot analysis to validate the quality of the structures. A total of 40 structures were considered to be of significant quality and were submitted to the online database PMDB. Conclusion: These predicted structures would help greatly in identification and drug design. This would greatly help in drug development and personalized drug treatment against different variants of the pathogen. This database would significantly support the structure-based computational drug design applications toward personalized medicine against the variants of concern of SARS CoV-2.