Date of Award
Spring 5-2024
Document Type
Thesis
Degree Name
Master of Science (MS)
Department
Computational and Data Sciences
First Advisor
Hagop Atamian
Second Advisor
Cyril Rakovski
Third Advisor
Adrian Vajiac
Abstract
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.
Creative Commons License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License.
Recommended Citation
S. Caruthers, "Identifying a target protein and ligands for autoimmune disorders," M. S. thesis, Chapman University, Orange, CA, 2024. https://doi.org/10.36837/chapman.000593