In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors

 

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dc.contributor.advisor Naidoo, Kevin J en_ZA
dc.contributor.author Jayakody, Ranga S en_ZA
dc.date.accessioned 2015-01-10T13:42:13Z
dc.date.available 2015-01-10T13:42:13Z
dc.date.issued 2012 en_ZA
dc.identifier.citation Jayakody, R. 2012. In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors. University of Cape Town. en_ZA
dc.identifier.uri http://hdl.handle.net/11427/12021
dc.description Includes abstract. en_ZA
dc.description Includes bibliographical references. en_ZA
dc.description.abstract Ricin is a dimeric enzyme found in the castor bean plant. It is extremely toxic with a fatal dose for humans ranging from 0.1-1.0 ug/kg. This has lead to its use as a biological weapon. Cell death is caused when ricin ceases the protein synthesis by removing a specific adenine (A-4324) of the GAGA tetra loop of 28S ribosomal RNA. Despite this destructive feature, ricin has been touted as a potential therapeutic agent where applications such as immunotoxins to treat cancer, AIDS and other diseases are actively being pursued. However, the prime challenge in such applications is the non specific cytotoxicity of ricin, which cannot currently be treated due to the absence of an effective antidote. The primary objective of this thesis is to describe the catalytic mechanism of ricin using computational reaction dynamics. For an accurate simulation of the ricin-catalysed reaction, a reasonable model of the target natural substrate is required. en_ZA
dc.language.iso eng en_ZA
dc.subject.other Chemistry en_ZA
dc.title In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors en_ZA
dc.type Doctoral Thesis
uct.type.publication Research en_ZA
uct.type.resource Thesis en_ZA
dc.publisher.institution University of Cape Town
dc.publisher.faculty Faculty of Science en_ZA
dc.publisher.department Department of Chemistry en_ZA
dc.type.qualificationlevel Doctoral
dc.type.qualificationname PhD en_ZA
uct.type.filetype Text
uct.type.filetype Image
dc.identifier.apacitation Jayakody, R. S. (2012). <i>In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Chemistry. Retrieved from http://hdl.handle.net/11427/12021 en_ZA
dc.identifier.chicagocitation Jayakody, Ranga S. <i>"In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Chemistry, 2012. http://hdl.handle.net/11427/12021 en_ZA
dc.identifier.vancouvercitation Jayakody RS. In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Chemistry, 2012 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/12021 en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Jayakody, Ranga S AB - Ricin is a dimeric enzyme found in the castor bean plant. It is extremely toxic with a fatal dose for humans ranging from 0.1-1.0 ug/kg. This has lead to its use as a biological weapon. Cell death is caused when ricin ceases the protein synthesis by removing a specific adenine (A-4324) of the GAGA tetra loop of 28S ribosomal RNA. Despite this destructive feature, ricin has been touted as a potential therapeutic agent where applications such as immunotoxins to treat cancer, AIDS and other diseases are actively being pursued. However, the prime challenge in such applications is the non specific cytotoxicity of ricin, which cannot currently be treated due to the absence of an effective antidote. The primary objective of this thesis is to describe the catalytic mechanism of ricin using computational reaction dynamics. For an accurate simulation of the ricin-catalysed reaction, a reasonable model of the target natural substrate is required. DA - 2012 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2012 T1 - In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors TI - In silico investigation of the mechanism of ricin-catalysed depurination reaction and design of novel ricin inhibitors UR - http://hdl.handle.net/11427/12021 ER - en_ZA


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