Please use this identifier to cite or link to this item:
https://scholarbank.nus.edu.sg/handle/10635/120145
Title: | SELF-ASSEMBLY AND DRUG DELIVERY IN AMPHIPHILIC PEPTIDES: MICROSCOPIC INSIGHTS FROM COARSE-GRAINED SIMULATIONS | Authors: | NARESH THOTA | Keywords: | Amphiphilic peptides, micelles, self-assembly, ibuprofen, drug delivery, molecular dynamics | Issue Date: | 13-Jan-2015 | Citation: | NARESH THOTA (2015-01-13). SELF-ASSEMBLY AND DRUG DELIVERY IN AMPHIPHILIC PEPTIDES: MICROSCOPIC INSIGHTS FROM COARSE-GRAINED SIMULATIONS. ScholarBank@NUS Repository. | 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. | URI: | http://scholarbank.nus.edu.sg/handle/10635/120145 |
Appears in Collections: | Ph.D Theses (Open) |
Show full item record
Files in This Item:
File | Description | Size | Format | Access Settings | Version | |
---|---|---|---|---|---|---|
Thota Naresh.pdf | 9.05 MB | Adobe PDF | OPEN | None | View/Download |
Google ScholarTM
Check
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.