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The newest virus strain designated as SARS-CoV-2 owned by the coronavirus family members. Even though existing health analysis directed to the improvement a novel therapeutic agent, no anti-viral medicine authorized up to now. On the medical scale, the introduction of an approved drug is a time-consuming process, so study is directed towards assessment of ligands and drugs multimodal structure-based-design and then docked to the main viral protease to investigate the energetic binding internet sites