{"title":"Could Zingiber officinale plant be effective against Omicron BA.2.75 of SARS-CoV-2?","authors":"H. Saraç, Ahmet Demi̇rbaş, Burak Tüzün","doi":"10.33435/tcandtc.1198612","DOIUrl":null,"url":null,"abstract":"Zingiber officinale plant was examined in this study. The chemicals found in this plant were identified using the GC-MS method. The activities of the determined chemical molecules against the SARS-CoV-2 Omicron variant were compared. We focused to determine whether Zingiber officinale plant would be an inhibitor against Omicron of SARS-CoV-2 in silico. As a result of theoretical calculations, Zingiber officinale plant was found to contain many chemicals as a result of GC-MS analysis. These chemicals were detected one by one and their activity values were calculated for the SARS-CoV-2 virus. As a result, molecules with high activity were detected. ADME/T properties were investigated in order to examine the drug properties of molecules with high activity. According to ADME/T results, these five molecules examined are suitable for use in human metabolism as drug molecules.","PeriodicalId":36025,"journal":{"name":"Turkish Computational and Theoretical Chemistry","volume":"3 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Turkish Computational and Theoretical Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.33435/tcandtc.1198612","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Biochemistry, Genetics and Molecular Biology","Score":null,"Total":0}
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Abstract
Zingiber officinale plant was examined in this study. The chemicals found in this plant were identified using the GC-MS method. The activities of the determined chemical molecules against the SARS-CoV-2 Omicron variant were compared. We focused to determine whether Zingiber officinale plant would be an inhibitor against Omicron of SARS-CoV-2 in silico. As a result of theoretical calculations, Zingiber officinale plant was found to contain many chemicals as a result of GC-MS analysis. These chemicals were detected one by one and their activity values were calculated for the SARS-CoV-2 virus. As a result, molecules with high activity were detected. ADME/T properties were investigated in order to examine the drug properties of molecules with high activity. According to ADME/T results, these five molecules examined are suitable for use in human metabolism as drug molecules.
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