Acknowledgments
The authors acknowledge the Bioinformatics Resources and Applications Facility (BRAF) of C-DAC, for providing the supercomputing facility to carry out quantum calculations of these molecules. Mallikarjunachari Uppuladinne acknowledges his colleague Ms. Shruti Koulgi and other team members for helping in graphics and technical discussions. Dikshita Dowerah acknowledges Tezpur University supercomputing facility PARAMTEZ for carrying out the related quantum chemical calculations. Uddhavesh Sonavane and Ramesh Deka acknowledged the Department of Biotechnology, Government of India, for financial support of this work (DBT Project No. BT/PR16182/NER/95/92/2015). Authors also acknowledge National Supercomputing Mission (NSM) & Ministry of Electronics and Information Technology (MeitY) for the support to carry out R&D work at C-DAC.