Acknowledgements
We would like to acknowledge Dr. Ashok K. Chauhan, Founder President, Amity University Uttar Pradesh Noida for constant motivation and support. The authors are really thankful to the team from Schrodinger consisting of Dr. Prajwal Nandekar and Dr. Kishore for providing the access to the software and constant support which has enabled us to complete the study in this lockdown period away from our lab.

Disclosure statement
There is no conflict of interests to declare.

Author contributions
D.P.K and R.J.M designed the concept of study. R.J.M performed computational analysis and D.P.K, R.J.M and N.S analysed the data. R.J.M, N.S, N.D and S.S wrote the manuscript. D.P.K and R.J.M reviewed and finalized the manuscript.