Apart from structural proteins which play a crucial role in the lifecycle of the virus, remarkable number of functional proteins categorized as non-structural proteins (Nsp’s), involved in viral replication, transcription, translation and protein modifications, and host infection are equally important (Wu et al., 2020). Among many such proteins, a well characterized distinguished drug target for SARS-Cov-2 is the 33.8 kDa, 3 C-like main protease, also called as the main protease or Nsp5 (3CLpro or Mpro or Nsp5) (Wu et al., 2020; Zhang et al., 2020). Together with the papain like proteases (Plpro), the enzyme is responsible for the processing of polyproteins produced by the viral RNA (Zhang et al., 2020). The Mpro along with Plpro cleaves the 790 kDa polyprotein1ab to generate 15 Nsp’s. The Mpro processes the polyprotein1ab at 11 sites to produce mature Nsp4-Nsp16 (Wu et al., 2020). Recently, the crystal structure of Mpro has also been reported at a resolution of 1.75 Å. The Mpro structure consists of three domains, domains I and II comprising of six-stranded anti-parallel β barrels spanning from residues 10 to 99 and 100 to 182, respectively forming the substrate-binding site between them and the domain III which is responsible for modulating the Mpro dimerization is a cluster of five helices ranging from residues 198 to 303 (Zhang et al., 2020). Due to the availability of the crystal structure and the absence of any human homologue, the Mpro is a lucrative drug target to work upon for the discovery of novel antiviral agents (Jin et al., 2020; Wu et al., 2020; Zhang et al., 2020). Recently, numerous studies have emerged against this target, discovering novel inhibitors by utilizing computational approaches which include the use of natural molecules (Aanouz et al., 2020; Das et al., 2020), commercially available drugs and zinc library (Das et al., 2020; Elmezayen, 2020; Ton et al., 2020), antiviral compounds (Khan, 2020; Kumar et al., 2020; Muralidharan, 2020), peptide molecules (Pant, 2020), generative chemistry approaches for drug design (Alex, 2020), combinatorial strategy of using anti-virals, natural products, anti-fungals, anti-protozoals and anti-nematodes (Das et al., 2020), and spice molecules (Rout et al., 2020).