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https://scholarbank.nus.edu.sg/handle/10635/120145
DC Field | Value | |
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dc.title | SELF-ASSEMBLY AND DRUG DELIVERY IN AMPHIPHILIC PEPTIDES: MICROSCOPIC INSIGHTS FROM COARSE-GRAINED SIMULATIONS | |
dc.contributor.author | NARESH THOTA | |
dc.date.accessioned | 2015-06-30T18:01:45Z | |
dc.date.available | 2015-06-30T18:01:45Z | |
dc.date.issued | 2015-01-13 | |
dc.identifier.citation | NARESH THOTA (2015-01-13). SELF-ASSEMBLY AND DRUG DELIVERY IN AMPHIPHILIC PEPTIDES: MICROSCOPIC INSIGHTS FROM COARSE-GRAINED SIMULATIONS. ScholarBank@NUS Repository. | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/120145 | |
dc.description.abstract | Amphiphilic peptides are biodegradable and biocompatible, important characteristics for ideal drug carriers. They can form nano-sized micelles with hydrophobic cores allowing for encapsulation of hydrophobic drugs. Through molecular dynamics simulation, we investigated amphiphilic peptides to quantitatively understand the self-assembly behavior of amphiphilic peptides from a microscopic scale, elucidate the detailed process of drug loading and release, and provide bottom-up guidelines towards the intelligent design of new amphiphilic peptides for drug delivery. We studied short amphiphilic peptides FmDn and FmKn self-assembly. For an optimal ratio of hydrophobic/hydrophilic residues of 3/4 for both F3Kn and F6Kn, quasi-spherical micelles are formed. Further we studied a relatively longer peptide FA32 [(AF)6H5K15] and its derivatives self-assembly. With increasing hydrophilic components the assembly capability is reduced and with increasing hydrophobic residues the formation of fiber-like structures is observed. A sample hydrophobic drug, ibuprofen (IBU), is investigated for loading and release. Upon the loading of IBU in FA32, quasi-spherical core/shell structured micelles are formed. In F16H5K15, however, the loading of IBU leads to a well-structured nanofiber. The release of IBU from FA32 micelles is slower than from F16H5K15 nanofiber, suggesting the former is better in controlled release. | |
dc.language.iso | en | |
dc.subject | Amphiphilic peptides, micelles, self-assembly, ibuprofen, drug delivery, molecular dynamics | |
dc.type | Thesis | |
dc.contributor.department | CHEMICAL & BIOMOLECULAR ENGINEERING | |
dc.contributor.supervisor | JIANG JIANWEN | |
dc.description.degree | Ph.D | |
dc.description.degreeconferred | DOCTOR OF PHILOSOPHY | |
dc.identifier.isiut | NOT_IN_WOS | |
Appears in Collections: | Ph.D Theses (Open) |
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Thota Naresh.pdf | 9.05 MB | Adobe PDF | OPEN | None | View/Download |
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