Title

Molecular docking analysis of Withaferin A from Withania somnifera with the Glucose regulated protein 78 (GRP78) in comparison with the COVID-19 main protease

Authors

HV Sudeep*, K Gouthamchandra, K Shyamprasad

Affiliation

R&D Center for Excellence, Vidya Herbs Pvt. Ltd, #14A, Jigani I phase, Bangalore- 560 105, Karnataka, India

Email

Dr. Sudeep H.V. - Tel.: +91 80-42094158; Email: sudeepkashyap.82@gmail.com; research@vidyaherbs.com; *Correspondening author

Article Type

Research Article

Date

Received April 6, 2020; Revised April 23, 2020; Accepted April 23, 2020; Published May 31, 2020

Design and development of an effective compound to combat COVID-19 is clearly critical in the current circumstances. Therefore, it is of interest to document the molecular docking analysis data of the Glucose regulated protein 78 (GRP78) with Withaferin A from Withania somnifera in the context of COVID-19 infection for further consideration. Thus, we document the optimal interaction features of withaferin A, artemisinin, curcumin and andrographolide with the GRP78 receptor having low binding energies (-8.7, -7.89, -6.21 and -6.17 kcal/mol respectively) in this report. This data is compared using their interaction features with the main protease of COVID-19 to gain additional
insight.

Keywords

COVID-19, GRP78, Mpro, Withaferin A

Citation

Sudeep et al. Bioinformation 16(5): 411-417 (2020)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.