Date of Award

Spring 5-2024

Document Type


Degree Name

Master of Science (MS)


Computational and Data Sciences

First Advisor

Hagop Atamian

Second Advisor

Cyril Rakovski

Third Advisor

Adrian Vajiac


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

Creative Commons License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License.



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