Zeitschrift für Infektionskrankheiten und Präventivmedizin
Offener Zugang
ISSN: 2329-8731
ISSN: 2329-8731
Akash Vanzara, Ravi Patel, Amisha Patel, Nimisha Patel, Kapil Yadav, Padamnabhi S. Nagar*
Novel Corona virus-2 (COVID-19) is spreading and causing major damage around the globe and constantly increasing daily. There is a prerequisite for expeditious development of safe and efficient drugs for such a contagious disease. In this regard, the utilization of a computational approach with an aim to provide potent enzyme inhibitors derived from natural resources will give a providential therapy. The present study investigated one of the promising plants namely Glycyrrhiza glabra L. It has various medicinal properties viz. anti-inflammatory, anti-cancer, anti-demulcent, expectorant, etc. In-Silico analysis of liquiritin against SARS-CoV-2 Mpro was carried out using Autodock 4.2.6 and results were compared with presently prescribed drugs i.e. dexamethasone, remdesivir, hydroxychloroquine, and azithromycin. The binding energy of liquiritin was found to be -6.62 kcal/mol. It shows the presence of hydrogen bond, hydrophobic interaction, and electrostatic interaction with six active residues THR26, GLY143, CYS145, HIS 164, GLU166, and GLN189. Comparative studies investigated that dexamethasone, remdesivir, hydroxychloroquine, and azithromycin have four (THR26, GLY143, CYS145, GLU166), three (CYS145, GLU166, GLN189), four (GLY143, CYS145, HIS 164, GLN189), and two (GLU166, GLN189) identical active residues, respectively. The present study recommended liquiritin as a potential candidate against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) as it is naturally derived and has tremendous traditional usage against various diseases. However, in-vitro and in-vivo studies are required to prove its efficacy.