ACE-2, Angiotensin converting enzyme- 2; ADMET; ADMET, absorption, Distribution, metabolism, excretion and toxicity; Ala, Alanine; Approx., approximately; Arg, arginine; Asn, Asparagine; Asp, Aspartic acid; CADD, Computer Aided Drug Design; CHARMM, Chemistry at Harvard Macromolecular Mechanics; COV, coronavirus; COVID, Novel corona-virus disease; Covid-19; Cys, cysteine; DSBDS, Dassault's Systems Biovia's Discovery studio; Gln, Glutamine; Glu, glutamate; Gly, Glycine; His, histidine; Ile, isoleucine; K, Kelvin; Kcal/mol, kilo calories per mol; Leu, Leucine; Leu, leucine; Lys, Lysine; MD, Molecular Dynamics; Met, Methionine; MoISA, Molecular Surface Area; Molecular dynamic simulations; Mpro protein; Mpro, Main protease enzyme; N protein, nucleocapsid protein; NI, N-(4-methylpyridin-3-yl) acetamide inhibitor; NPT, amount of substance (N), pressure (P) and temperature (T); NVT, amount of substance (N), volume (V) and temperature (T); Natural Antiviral herbs; PDB, protein data bank; PPB, plasma protein binding; PSA, Polar Surface Area; Phi, Phenylalanine; Pro, Proline; RCSB, Research Collaboratory for Structural Bioinformatics; RMS, Root Mean Square; RMSD, Root Mean Square Deviation; RMSF, root mean square fluctuations; RNA, Ribonucleic acid; SAR-COV-2, severe acute respiratory syndrome coronavirus 2; SDF, structure data format; Ser, serine; T, Temperature; Thr, Threonine; Trp, Tryptophan; Tyr, Tyrosine; Val, Valine; kDa, kilo Dalton; nCOV-19, Novel Coronavirus 2019; ns/nsec, nano seconds; ps, pentoseconds; rGyr, Radius of gyration; w.r.t., with respect to; Å, angstrom; α, alpha; ß, beta