{"title":"新型抗金黄色葡萄球菌芳基亚胺衍生物的分子对接研究","authors":"Shalini, B. Kumar, P. Raman","doi":"10.7598/cst2018.1518","DOIUrl":null,"url":null,"abstract":": In this work, we collected three dimensional structure of Sortase A from Staphylococcus aureus which plays an important role in structural stability of staphylococcus aureus . The protein structure was collected from PDB data bank. From the 3D structure of the protein, the targeted structure was developed. Docking studies was performed with designed compounds. The derivatives docked to the protein by hydrogen boding interactions and these interactions play an important role in the binding studies. Docking results showed the best compounds among the derivatives.","PeriodicalId":10087,"journal":{"name":"Chemical science transactions","volume":"181 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2018-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular Docking Study of Novel Aryl Imine Derivatives for Anti Staphylococcus aureus\",\"authors\":\"Shalini, B. Kumar, P. Raman\",\"doi\":\"10.7598/cst2018.1518\",\"DOIUrl\":null,\"url\":null,\"abstract\":\": In this work, we collected three dimensional structure of Sortase A from Staphylococcus aureus which plays an important role in structural stability of staphylococcus aureus . The protein structure was collected from PDB data bank. From the 3D structure of the protein, the targeted structure was developed. Docking studies was performed with designed compounds. The derivatives docked to the protein by hydrogen boding interactions and these interactions play an important role in the binding studies. Docking results showed the best compounds among the derivatives.\",\"PeriodicalId\":10087,\"journal\":{\"name\":\"Chemical science transactions\",\"volume\":\"181 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-10-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical science transactions\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.7598/cst2018.1518\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical science transactions","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.7598/cst2018.1518","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Molecular Docking Study of Novel Aryl Imine Derivatives for Anti Staphylococcus aureus
: In this work, we collected three dimensional structure of Sortase A from Staphylococcus aureus which plays an important role in structural stability of staphylococcus aureus . The protein structure was collected from PDB data bank. From the 3D structure of the protein, the targeted structure was developed. Docking studies was performed with designed compounds. The derivatives docked to the protein by hydrogen boding interactions and these interactions play an important role in the binding studies. Docking results showed the best compounds among the derivatives.
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