ABSTRACT: Coronaviruses are dangerous micro-organism that attacks both the young and adults. Some are responsible for trifling diseases that occur in human respiratory organ while the famous ones (severe acute respiratory syndrome (SARS) and Middle East respiratory syndrome (MERS)) are very dangerous and are capable of causing terrible respiratory disease. In a way to inhibit this life threatening virus, five molecular compounds obtained from Annona Muricata Seed which has been helpful to human being were studied via density functional theory method using Spartan, Discovery studio, AutoDock Tool, AutoDock Vina and Edupymol. In this study, the calculated descriptors (highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), dipole moment, energy band gap, area, volume, polarizability, polar surface area, Log P, hydrogen bond donor, hydrogen bond acceptor) obtained from optimized compounds were observed to describe anti-SARS-CoV nsp12 polymerase. Also, the docking study exposed the inhibiting ability of the studied compounds. The calculated binding affinity are -5.1 kcal/mol, -4.5 kcal/mol, -4.4 kcal/mol, -5.6 kcal/mol, and -4.7 kcal/mol for compounds A-E and it was observed that the calculated binding affinity values were closer and this is sign that the selected compounds in Annona Muricata seed are promising anti-SARS-CoV nsp12 polymerase. Therefore, the selected compounds from Annona Muricata seed have a promising ability to inhibit SARS-CoV nsp12 polymerase thereby inhibiting 2019-nCoV.