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.
","abstract_html":"<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>","abstract_has_math":false,"creators":["Caruthers, Sarah"],"institution":null,"degree_name":"Master of Science (MS)","degree_level":"Thesis","degree_discipline":"Computational and Data Sciences","degree_department":null,"school":null,"contributors":["Hagop Atamian","Cyril Rakovski","Adrian Vajiac"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2024,"date_issued":"2024-05-01T07:00:00Z","date_published":"2024-05-01T07:00:00Z","updated_at":"2026-07-24T01:38:37Z","subjects":["autoimmune","HIF","interleukin","natural inhibitors","Biochemistry, Biophysics, and Structural Biology"],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://digitalcommons.chapman.edu/cads_theses/21","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Hagop Atamian","Cyril Rakovski","Adrian Vajiac"]},{"key":"dc:creator","label":"Author","values":["Caruthers, Sarah"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.available","label":"Dc Date Available","values":["2024-05-10T07:00:00Z"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Computational and Data Sciences"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science (MS)"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["autoimmune","HIF","interleukin","natural inhibitors","Biochemistry, Biophysics, and Structural Biology"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["https://digitalcommons.chapman.edu/cads_theses/21"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["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.
"]},{"key":"dc:source","label":"Dc Source","values":["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"]},{"key":"dc:title","label":"Title","values":["Identifying a Target Protein and Ligands for Autoimmune Disorders"]}]}],"canonical_facts":{"dc:contributor":["Hagop Atamian","Cyril Rakovski","Adrian Vajiac"],"dc:creator":["Caruthers, Sarah"],"dc:date.available":["2024-05-10T07:00:00Z"],"dc:description.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.
"],"dc:identifier":["https://digitalcommons.chapman.edu/cads_theses/21"],"dc:source":["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"],"dc:subject":["autoimmune","HIF","interleukin","natural inhibitors","Biochemistry, Biophysics, and Structural Biology"],"dc:title":["Identifying a Target Protein and Ligands for Autoimmune Disorders"],"thesis:degree_discipline":["Computational and Data Sciences"],"thesis:degree_level":["Thesis"],"thesis:degree_name":["Master of Science (MS)"]},"updated_at":"2026-07-24T01:38:37Z"}