Erkan Öner, I. Demirhan, Seda Ergün, Ergul Belge Kurutas, S. Yalın
{"title":"用分子对接法研究锌PHTHALOCYANİNE-1在SARS COV-2 MPRO中的作用","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":"{\"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}","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}
INVESTIGATION of ZINC PHTHALOCYANİNE-1 IN SARS COV-2 MPRO by MOLECULAR DOCKING METHOD: IN SILICO STUDY
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