Identifying a Target Protein and Ligands for Autoimmune Disorders

<p>Systemic Lupus Erythematosus (SLE) is an autoimmune disorder characterized by unprovoked inflammatory responses that lead to tissue degradation. Patients suffering from SLE display an overexpression of master regulatory protein HIF-1 HIF-1is a transcription factor for pro-inflammatory cytokine interleukin-17A (IL-17A), which is highly involved in inflammatory reactions within the body. To search for a treatment for SLE, computer aided drug discovery techniques were utilized. The transcription factor complex for IL-17A was reconstructed through multiple protein docking techniques. The heteroprotein complex was profiled using 3D macromolecular visualization software and binding cavities within HIF-1 were calculated. Molecular docking simulations were run on the binding cavities of HIF-1in complex with 140,00 naturally occurring products from Coconut Database. Three suitable drug candidates for SLE were identified, all from different chemical classes and plant species.</p>

Name thesis:degree_name

Master of Science (MS)

Level thesis:degree_level

Thesis

Discipline thesis:degree_discipline

Computational and Data Sciences

Year dc:date.available

2024

Author dc:creator

• Caruthers, Sarah

Contributors dc:contributor

• Hagop Atamian
• Cyril Rakovski
• Adrian Vajiac

• autoimmune
• HIF
• interleukin
• natural inhibitors
• Biochemistry, Biophysics, and Structural Biology

Repository record dc:identifier

https://digitalcommons.chapman.edu/cads_theses/21

OAI identifier oai:identifier

oai:digitalcommons.chapman.edu:cads_theses-1020