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Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations
Includes bibliographical references.
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Chemistry
2016
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| _version_ | 1867613222744358912 |
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| access_status_str | Open Access |
| author | Sunter, Katherine Margaret |
| author2 | Jackson, Graham Ellis |
| author_browse | Jackson, Graham Ellis Sunter, Katherine Margaret |
| author_facet | Jackson, Graham Ellis Sunter, Katherine Margaret |
| author_sort | Sunter, Katherine Margaret |
| collection | Thesis |
| description | Includes bibliographical references. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/17558 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:32:42.829Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2016 |
| publishDateRange | 2016 |
| publishDateSort | 2016 |
| publisher | Department of Chemistry |
| publisherStr | Department of Chemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/17558 Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations Sunter, Katherine Margaret Jackson, Graham Ellis Chemistry Includes bibliographical references. Insect neuropeptides play a vital role in the hormone release processes associated with insect flight Elucidation of the metabolic flight pathways requires a knowledge of the peptide secondary structure to allow predictions to be made regarding hormone-receptor binding processes. The three insect neuropeptides under investigation were taken from the corpora cardiaca of the migratory locust (Locusta migratoria) and belonged to the Lom peptide series - Lom-AKH-I, II and Ill. The secondary structure of these hormones was investigated using high-resolution nuclear magnetic resonance (NMR) techniques and various molecular mechanics computations. The interproton distances and φ torsion angles obtained from the NMR data were used to constrain the peptides in subsequent Monte Carlo and molecular dynamics (simulated annealing) calculations. The results of these calculations indicated that Lom-AKH-I and Lom-AKH-III adopt a definite structure in d⁶-DMSO solution, while Lom-AKH-II appeared to be fluctional with a minimum of three structures being required to satisfy the experimental data. Lom-AKH-I and ill were shown to adopt a loose open turn structures stabilised by the presence of a single hydrogen bond. Both had an additional concave structure with hydrophobic clustering on the convex surface of the molecule. The results suggest that Lom-AKH-I and Lom-AKH-III are more reactive than Lom-AKH-II. These predictions are in agreement with literature results obtained for Lom-AKH-I and II for lipid mobilisation and phosphorylase activation. However, when measured against cAMP production, Lom-AKH-II has higher activity. Insufficient literature was available to make structure/activity comparisons for Lom-AKH-III. 2016-03-07T06:56:47Z 2016-03-07T06:56:47Z 1996 Master Thesis Masters MSc http://hdl.handle.net/11427/17558 eng application/pdf Department of Chemistry Faculty of Science University of Cape Town |
| spellingShingle | Chemistry Sunter, Katherine Margaret Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations |
| thesis_degree_str | Master's |
| title | Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations |
| title_full | Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations |
| title_fullStr | Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations |
| title_full_unstemmed | Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations |
| title_short | Secondary structure determination of insect neuropeptides using high-resolution nuclear magnetic resonance and various molecular mechanics calculations |
| title_sort | secondary structure determination of insect neuropeptides using high resolution nuclear magnetic resonance and various molecular mechanics calculations |
| topic | Chemistry |
| url | http://hdl.handle.net/11427/17558 |
| work_keys_str_mv | AT sunterkatherinemargaret secondarystructuredeterminationofinsectneuropeptidesusinghighresolutionnuclearmagneticresonanceandvariousmolecularmechanicscalculations |