Erkan Öner, I. Demirhan, Seda Ergün, Ergul Belge Kurutas, S. Yalın
{"title":"INVESTIGATION of ZINC PHTHALOCYANİNE-1 IN SARS COV-2 MPRO by MOLECULAR DOCKING METHOD: IN SILICO STUDY","authors":"Erkan Öner, I. Demirhan, Seda Ergün, Ergul Belge Kurutas, S. Yalın","doi":"10.55433/gsbd.266","DOIUrl":null,"url":null,"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","PeriodicalId":422894,"journal":{"name":"GOBEKLİTEPE Saglik Bilimleri Dergisi","volume":"5 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"GOBEKLİTEPE Saglik Bilimleri Dergisi","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.55433/gsbd.266","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
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