Structural Dynamics and Function of Hepcidin in the Context of Hemochromatosis using Alphafold2 and VMD
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Authors
Tiwari, Tribhuwan
Dharmadhikari, Bhusan
Patra, Prabir
Issue Date
2023-03-24
Type
Other
Language
en_US
Keywords
Alphafold2 , Hepcidin , Iron Metabolism
Alternative Title
Abstract
Hepcidin is a peptide consisting of 84 amino acids produced by the liver that acts as a key regulator of iron metabolism. Hepcidin levels in the body are regulated by a variety of factors, including inflammation, iron status, and erythropoiesis. Increased hepcidin levels are seen in conditions of iron overload, such as hereditary hemochromatosis, as well as in conditions of inflammation, such as chronic kidney disease and cancer. Decreased hepcidin levels, on the other hand, are seen in iron deficiency anemia. The study of hepcidin and its regulation is of great importance for understanding and treating iron-related diseases. Inhibiting the action of hepcidin has been proposed as a potential therapeutic approach for treating iron deficiency anemia, while increasing hepcidin levels are explored as a treatment for iron overload disorders. We aim at predicting the 3-dimensional structure of hepcidin and its interactions with other proteins using Alphafold2 that uses deep learning algorithm and by using visual molecular dynamics (VMD) tool to provide insights into its function and mechanism of action. With VMD, the predicted structure of hepcidin can be visualized and its interactions with the environment will be quantified. We aim to understand, the structure and function of hepcidin protein and its role in regulating iron metabolism by combining the capabilities of Alphafold2 and VMD.
Description
UB Rise 2023
Department of Biomedical Engineering
School of Engineering