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master's thesis
The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium
Split: University of Split, Faculty of Science, 2024. urn:nbn:hr:166:877803
Begić, Anamarija
University of Split
Faculty of Science
Department of Physics

Institutional repository: Repository of Faculty of Science

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Begić, A. (2024). The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium (Master's thesis). Split: University of Split, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:166:877803

Begić, Anamarija. "The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium." Master's thesis, University of Split, Faculty of Science, 2024. https://urn.nsk.hr/urn:nbn:hr:166:877803

Begić, Anamarija. "The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium." Master's thesis, University of Split, Faculty of Science, 2024. https://urn.nsk.hr/urn:nbn:hr:166:877803

Begić, A. (2024). 'The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium', Master's thesis, University of Split, Faculty of Science, accessed 07 August 2024, https://urn.nsk.hr/urn:nbn:hr:166:877803

Begić A. The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium [Master's thesis]. Split: University of Split, Faculty of Science; 2024 [cited 2024 August 07] Available at: https://urn.nsk.hr/urn:nbn:hr:166:877803

A. Begić, "The role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium", Master's thesis, University of Split, Faculty of Science, Split, 2024. Available at: https://urn.nsk.hr/urn:nbn:hr:166:877803

Metadata
TitleThe role of specific structural motifs in mode of action of antimicrobial peptide TSO8 from Taenia solium
Title (croatian)Uloga specifičnih strukturnih motiva u načinu djelovanja antimikrobnog peptide TSO8 iz Taenia solium
AuthorAnamarija Begić
MentorLarisa Zoranić (mentor)
Committee memberLarisa Zoranić (predsjednik povjerenstva)
Committee memberTomislav Rončević (član povjerenstva)
Committee memberLucija Krce (član povjerenstva)
GranterUniversity of Split
Faculty of Science
(Department of Physics)
Split
Defense date and country2024-04-11, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Abstract
Combating antimicrobial resistance remains a major challenge in the recent decades, driving the search for innovative treatments. Antimicrobial peptides have emerged as a promising alternative, given their important role in defence mechanism of various organisms. This thesis focuses on TSO8 peptide identified in the helminth parasite Taenia solium, which is potent against both Gram-negative and Gram-positive bacterial strains. To assess the atomic details of its mode of action, TSO8 and four of its fragments, along with its linearized form, were investigated through all-atom molecular dynamics simulations in various environments. Results of the simulations reveal the significance of the initial GW amino acid sequence in stabilizing the α-helical structure. In interaction with the bacterial membrane model, two distinct contributions of peptide regions are observed: the N-terminal α-helix is crucial for the initial electrostatic contact, while the function of the unstructured C-terminal is most likely emphasized in other aspects of the peptide’s activity. Additionally, peptides show a high affinity of clustering in water, while exhibiting no significant clustering on the membrane surface. For further investigation the insight of MD simulations will be coupled with the biological and biophysical characterization on TSO8 and its fragments.
Abstract (croatian)
Borba protiv antimikrobne rezistencije jedan je od glavnih izazova posljednjih desetljeća, potičući potragu za inovativnim liječenjima. Antimikrobni peptidi pojavili su se kao obećavajuća alternativa, obzirom na njihovu važnu ulogu u obrambenom mehanizmu raznih organizama. U ovom radu istražuje se peptid TSO8 identificiran u helmintskom parazitu Taenia solium, koji ima značajnu antimikrobnu aktivnost protiv Gram pozitivnih i Gram negativnih bakterijskih sojeva. Detalji mehanizma su istraženi simulacijama molekularne dinamike TSO8 peptida, četiri njegova fragmenta i njegova linearnog oblika, u različitim okruženjima. Rezultati simulacija otkrivaju važnost početnog GW slijeda aminokiselina u stabilizaciji α-helikalne strukture. U interakciji peptida s bakterijskom membranom ističu se dva različita doprinosa: N-terminalna α-uzvojnica ključna je za početni elektrostatski kontakt, dok je funkcija neuređenog C-terminala vjerojatno istaknuta u drugim aspektima aktivnosti peptida. Također, peptidi pokazuju visoku sklonost formiranju klastera u vodi, dok ne pokazuju značajno klasteriranje na površini membrane. U nastavku istraživanja rezultati simulacija će se upotpuniti eksperimentima za biološku i biofizičku karakterizaciju TSO8 peptida i njegovih fragmenata.
Keywords
Keywords (croatian)
Languageenglish
URN:NBNurn:nbn:hr:166:877803
Study programmeTitle: Physics; specializations in: specialization in Education, specialization in Astrophysics and Elementary Particle Physics, specialization in Biophysics, specialization in Environmental Physics, specialization in Computational Physics
Course: specialization in Biophysics
Study programme type: university
Study level: graduate
Academic / professional title: sveučilišni/a magistar/magistra fizike (sveučilišni/a magistar/magistra fizike)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2024-05-06 08:04:14