2021 Student Research Conference:
34th Annual Student Research Conference

Inhibition of DNA Deaminase APOBEC3B Using Computational Methods


Saul Armendariz Lobera
Dr. Bill R. Miller, Faculty Mentor

Cancer remains a leading cause of death for humans everywhere. APOBEC3B, an enzyme encoded in the human genome, is understood to exacerbate many cancers with its cytosine deaminase function. This protein causes mutations in DNA by converting cytosine nucleotides into uracil. APOBEC3B’s upregulation in tumor cells correlates with a variety of undesirable cancer developments such as recurrence, metastasis, and the development of therapy resistant tumors, and ultimately decreases durations of survival. This project screens thousands of molecules for potential APOBEC3B inhibitors based on their binding affinity to the enzyme. The most promising drug candidates are then further analyzed at the atomic level using Molecular Dynamics. Preliminary results from this project using these methods show promise toward the discovery of new cancer drugs, and have the potential to accelerate the drug development process by decreasing the amount of potential drugs to test.

Keywords: Computational, Drug Design, Cancer, Modeling

Topic(s):Biology
Chemistry
Biochemistry and Molecular Biology

Presentation Type: Asynchronous Virtual Oral Presentation

Session: 3-12
Location: https://flipgrid.com/f86d186b
Time: 0:00

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