Because of the fast increase in deaths due to Corona Viral Infection in majority region in the world, the detection of drugs potent of this infection is a major need. With this idea, docking study was executed on eighteen imidazole derivatives based on 7-chloro-4-aminoquinoline against novel Coronavirus (SARS-CoV-2).

In this study, we carried out a docking study of these molecules in the active site of SARS-CoV-2 main protease. The result indicate that Molecules N° 3, 7 and 14 have more binding energy with SARS-CoV-2 main protease recently crystallized (pdb code 6LU7) in comparison with the other imidazole derivatives and the two drug; Chloroquine and hydroxychloroquine. Because of the best energy of interaction, these three molecules could have the most potential antiviral treatment of COVID-19 than the other studied compounds. The structures with best affinity in the binding site of the protease have more than 3 cycles and electronegative atoms in the structure. This may increase the binding affinity of these molecules because of formation of π-bonds, halogen interactions and/or Hydrogen bond interactions between compounds and the enzyme. So, compounds with more cycles and electronegative atoms could have a potent inhibition of SARS-CoV-2 main protease.

由于世界上大多数地区因冠状病毒感染而死亡的人数迅速增加，因此迫切需要检测对这种感染有效的药物。以此为思路，对18种基于7-氯-4-氨基喹啉的咪唑衍生物与新型冠状病毒（SARS-CoV-2）进行了对接研究。

在这项研究中，我们对这些分子在 SARS-CoV-2 主要蛋白酶的活性位点进行了对接研究。结果表明，与其他咪唑衍生物和两种药物相比，分子N°3、7和14与最近结晶的SARS-CoV-2主要蛋白酶（pdb代码6LU7）具有更高的结合能；氯喹和羟氯喹。由于相互作用的最佳能量，这三种分子可能比其他研究的化合物具有最有潜力的 COVID-19 抗病毒治疗。蛋白酶结合位点亲和性最好的结构具有3个以上的循环和结构中的电负性原子。由于化合物和酶之间形成 π 键、卤素相互作用和/或氢键相互作用，这可能会增加这些分子的结合亲和力。所以，