Periyasamy Sellam, Sundaram Manjunathan, Srinivasan Vasanth Kumar, K. Chithra
{"title":"(2E,2 ' e) -2,2 ' -(丙烷-1,2-二乙基)双(n -甲基肼碳硫酰胺)与SARS-CoV主蛋白酶的合成、NMR研究及结合作用","authors":"Periyasamy Sellam, Sundaram Manjunathan, Srinivasan Vasanth Kumar, K. Chithra","doi":"10.14233/ajomc.2022.ajomc-p359","DOIUrl":null,"url":null,"abstract":"Chloroquine derivatives were one of the medications tested against the coronavirus pandemic in 2020 and they appeared to be effective. In this present work, (2E,2′E)-2,2′-(propane-1,2-diylidene)bis(Nmethylhydrazinecarbothioamide) (PMTSC) has been postulated as a possible antiviral for the treatment of COVID-19 by using 1-Click docking. Compound PMTSC has been synthesized by the condensation reaction between pyruvaldehyde and N-methylthiosemicarbazide. The synthesized PMTSC was confirmed by elemental analysis and NMR spectral study. The binding interaction of PMTSC has been performed with SARS-CoV main protease (PDB code: 2GZ7 and 2GZ8). The docking results showed good binding energies and interactions.","PeriodicalId":8544,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"14 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis, NMR Studies and Binding Interactions of (2E,2′E)-2,2′-(Propane-1,2-\\ndiylidene)bis(N-methylhydrazinecarbothio-amide) with SARS-CoV Main Protease\",\"authors\":\"Periyasamy Sellam, Sundaram Manjunathan, Srinivasan Vasanth Kumar, K. Chithra\",\"doi\":\"10.14233/ajomc.2022.ajomc-p359\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Chloroquine derivatives were one of the medications tested against the coronavirus pandemic in 2020 and they appeared to be effective. In this present work, (2E,2′E)-2,2′-(propane-1,2-diylidene)bis(Nmethylhydrazinecarbothioamide) (PMTSC) has been postulated as a possible antiviral for the treatment of COVID-19 by using 1-Click docking. Compound PMTSC has been synthesized by the condensation reaction between pyruvaldehyde and N-methylthiosemicarbazide. The synthesized PMTSC was confirmed by elemental analysis and NMR spectral study. The binding interaction of PMTSC has been performed with SARS-CoV main protease (PDB code: 2GZ7 and 2GZ8). The docking results showed good binding energies and interactions.\",\"PeriodicalId\":8544,\"journal\":{\"name\":\"Asian Journal of Organic & Medicinal Chemistry\",\"volume\":\"14 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Asian Journal of Organic & Medicinal Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.14233/ajomc.2022.ajomc-p359\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Asian Journal of Organic & Medicinal Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.14233/ajomc.2022.ajomc-p359","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Synthesis, NMR Studies and Binding Interactions of (2E,2′E)-2,2′-(Propane-1,2-
diylidene)bis(N-methylhydrazinecarbothio-amide) with SARS-CoV Main Protease
Chloroquine derivatives were one of the medications tested against the coronavirus pandemic in 2020 and they appeared to be effective. In this present work, (2E,2′E)-2,2′-(propane-1,2-diylidene)bis(Nmethylhydrazinecarbothioamide) (PMTSC) has been postulated as a possible antiviral for the treatment of COVID-19 by using 1-Click docking. Compound PMTSC has been synthesized by the condensation reaction between pyruvaldehyde and N-methylthiosemicarbazide. The synthesized PMTSC was confirmed by elemental analysis and NMR spectral study. The binding interaction of PMTSC has been performed with SARS-CoV main protease (PDB code: 2GZ7 and 2GZ8). The docking results showed good binding energies and interactions.