INVESTIGATION of ZINC PHTHALOCYANİNE-1 IN SARS COV-2 MPRO by MOLECULAR DOCKING METHOD: IN SILICO STUDY

Erkan Öner, I. Demirhan, Seda Ergün, Ergul Belge Kurutas, S. Yalın
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Abstract

The coronavirus disease has caused the death of many people in the world and in our country. This unexpected negative health terror has left countries in a difficult situation. In this study, it was aimed to investigate Zinc Phthalocyanine-1 (ZnPc-1) against SARS-CoV-2 main protease (MPro) by in silico method. In our research, Zn-Pc-1 was enabled to target the active site of the SARS-CoV-2 MPro receptor with PDB ID:6LU7. Molecular docking study was done with Autodock program. The result of molecular docking was found to be -10.6 kcal/mol. The results obtained from the study showed that Zn-Pc-1 has a very high potential to be an inhibitor of SARS CoV-2 MPro.Key Words: Sars-Cov-2 Main Protease, Molecular Docking, Zinc Phthalocyanine
用分子对接法研究锌PHTHALOCYANİNE-1在SARS COV-2 MPRO中的作用
冠状病毒病已经在世界和我国造成许多人死亡。这种意想不到的负面健康恐怖使各国陷入困境。本研究旨在通过硅晶法研究酞菁锌-1 (ZnPc-1)对SARS-CoV-2主蛋白酶(MPro)的抑制作用。在我们的研究中,Zn-Pc-1能够靶向PDB ID:6LU7的SARS-CoV-2 MPro受体的活性位点。利用Autodock程序进行分子对接研究。分子对接的结果为-10.6 kcal/mol。研究结果表明,Zn-Pc-1具有很高的抑制SARS CoV-2 MPro的潜力。关键词:Sars-Cov-2主蛋白酶,分子对接,酞菁锌
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