{"title":"在与糖蛋白络合之前探测微病毒蛋白的有效界面残基:用硅观察抗hiv活性","authors":"P. Manivannan, G. Muralitharan","doi":"10.4172/2155-9910.1000241","DOIUrl":null,"url":null,"abstract":"Microvirin, a mannose binding anti-HIV (Human Immunodeficiency virus) lectin has been proved as a potent agent in combating HIV. Ligand binding residues of Microvirin was taken in to account for analysis of interfacial residues and identify surface/Buried residues based on Accessible surface area and free energy based calculations. After categorization, Comparative B factors were assessed for prediction of Rigid/Non-Rigid residues among the Ligand binding residues. Furthermore docking microvirin with glycoproteins gp120 and gp41 revealed the conserved interfacial residues in complexes and affirms the computational dissection of microvirin’s anti-HIV activity.","PeriodicalId":331621,"journal":{"name":"Journal of Marine Science: Research & Development","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2017-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Probing Potent Interfacial Residues in Microvirin before Complexationwith Glycoproteins: Visualizing Anti-HIV Activity in silico\",\"authors\":\"P. Manivannan, G. Muralitharan\",\"doi\":\"10.4172/2155-9910.1000241\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Microvirin, a mannose binding anti-HIV (Human Immunodeficiency virus) lectin has been proved as a potent agent in combating HIV. Ligand binding residues of Microvirin was taken in to account for analysis of interfacial residues and identify surface/Buried residues based on Accessible surface area and free energy based calculations. After categorization, Comparative B factors were assessed for prediction of Rigid/Non-Rigid residues among the Ligand binding residues. Furthermore docking microvirin with glycoproteins gp120 and gp41 revealed the conserved interfacial residues in complexes and affirms the computational dissection of microvirin’s anti-HIV activity.\",\"PeriodicalId\":331621,\"journal\":{\"name\":\"Journal of Marine Science: Research & Development\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2017-10-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Marine Science: Research & Development\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.4172/2155-9910.1000241\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Marine Science: Research & Development","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4172/2155-9910.1000241","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Probing Potent Interfacial Residues in Microvirin before Complexationwith Glycoproteins: Visualizing Anti-HIV Activity in silico
Microvirin, a mannose binding anti-HIV (Human Immunodeficiency virus) lectin has been proved as a potent agent in combating HIV. Ligand binding residues of Microvirin was taken in to account for analysis of interfacial residues and identify surface/Buried residues based on Accessible surface area and free energy based calculations. After categorization, Comparative B factors were assessed for prediction of Rigid/Non-Rigid residues among the Ligand binding residues. Furthermore docking microvirin with glycoproteins gp120 and gp41 revealed the conserved interfacial residues in complexes and affirms the computational dissection of microvirin’s anti-HIV activity.