Design, Docking Studies, and Synthesis of Potential KIAA1199 Inhibitors
Advisor Information
Andy Zhong
Location
Dr. C.C. and Mabel L. Criss Library
Presentation Type
Poster
Start Date
7-3-2014 9:00 AM
End Date
7-3-2014 12:00 PM
Abstract
Breast cancer is the second leading cause of cancer related death in women, second only to lung cancer. A protein KIAA1199 has been observed in many types of cancers including breast cancer. Preliminary studies on breast cancer cells have shown that the protein KIAA1199 influences its growth, metastasis, and angiogenesis. Inhibition of KIAA1199 can reduce the spread of breast cancer. The objectives of this project are 1) to study the binding affinities of a compound that has been shown to inhibit KIAA1199 and two proposed compounds using glide dock software; and 2) to synthesize the two proposed compounds that may inhibit the protein. The results from docking studies showed that the active compound and the two proposed compounds bind to the same active site but interact with different amino acids of the protein KIAA1199 resulting in different docking scores. Various solvents and reaction conditions have been applied to the synthesis of the two proposed compounds and the effect of these modifications on reaction yields will be discussed.
Design, Docking Studies, and Synthesis of Potential KIAA1199 Inhibitors
Dr. C.C. and Mabel L. Criss Library
Breast cancer is the second leading cause of cancer related death in women, second only to lung cancer. A protein KIAA1199 has been observed in many types of cancers including breast cancer. Preliminary studies on breast cancer cells have shown that the protein KIAA1199 influences its growth, metastasis, and angiogenesis. Inhibition of KIAA1199 can reduce the spread of breast cancer. The objectives of this project are 1) to study the binding affinities of a compound that has been shown to inhibit KIAA1199 and two proposed compounds using glide dock software; and 2) to synthesize the two proposed compounds that may inhibit the protein. The results from docking studies showed that the active compound and the two proposed compounds bind to the same active site but interact with different amino acids of the protein KIAA1199 resulting in different docking scores. Various solvents and reaction conditions have been applied to the synthesis of the two proposed compounds and the effect of these modifications on reaction yields will be discussed.