Discovery and Synthesis of Novel Inflammation Reducing Drug for Atopic Dermatitis
Session Number
Project ID: MEDH 37
Advisor(s)
Dr. John Thurmond; Illinois Mathematics and Science Academy
Discipline
Medical and Health Sciences
Start Date
20-4-2022 8:50 AM
End Date
20-4-2022 9:05 AM
Abstract
Atopic dermatitis (AD) is a non-contagious chronic inflammatory skin disease. AD is associated with allergies such as those that pertain to food or dust, allergic asthma, and anaphylaxis. These reactions start a complex interaction of various pathways involving skin barrier function and immune deviation, developing an itchy inflammation on the contacted skin. Topical treatments such as topical steroids and PDE4 inhibitors are the most common medication for immediate, on-site treatment of AD to reduce inflammation. However, the Janus-kinase signal transducer was discovered in recent years as a regulator of inflammation and myeloproliferation and may be more effective than current medication in treating inflammatory diseases. Therefore, JAK inhibitors are now being studied, such as baricitinib, ruxolitinib, and tofacitinib. Using the active site of the baricitinib inhibitor, we use the digital drug design platform SeeSAR by BioSolveIT to find possible new structures and sort them by effective ADME data. After review and selection of structures, a synthesis route for a structure most feasible to synthesize for this research project was created in reference to baricitnib. This hypothesis will test if the synthesis of our discovered drug is possible and efficiently reproducible, and if properties effective to the treatment of AD are retained.
Discovery and Synthesis of Novel Inflammation Reducing Drug for Atopic Dermatitis
Atopic dermatitis (AD) is a non-contagious chronic inflammatory skin disease. AD is associated with allergies such as those that pertain to food or dust, allergic asthma, and anaphylaxis. These reactions start a complex interaction of various pathways involving skin barrier function and immune deviation, developing an itchy inflammation on the contacted skin. Topical treatments such as topical steroids and PDE4 inhibitors are the most common medication for immediate, on-site treatment of AD to reduce inflammation. However, the Janus-kinase signal transducer was discovered in recent years as a regulator of inflammation and myeloproliferation and may be more effective than current medication in treating inflammatory diseases. Therefore, JAK inhibitors are now being studied, such as baricitinib, ruxolitinib, and tofacitinib. Using the active site of the baricitinib inhibitor, we use the digital drug design platform SeeSAR by BioSolveIT to find possible new structures and sort them by effective ADME data. After review and selection of structures, a synthesis route for a structure most feasible to synthesize for this research project was created in reference to baricitnib. This hypothesis will test if the synthesis of our discovered drug is possible and efficiently reproducible, and if properties effective to the treatment of AD are retained.