Naringin ve Naringenin'in Kardiyovasküler Hastalıklar Üzerindeki Antioksidan Özelliği Moleküler Docking

Ömer Göç

doi:10.5281/zenodo.12610860

Authors

Ömer Göç

DOI:

https://doi.org/10.5281/zenodo.12610860

Keywords:

Naringin, Naringenin, Molecular Docking, Cardiovascular

Abstract

Objective: Naringin and naringenin, which belong to a subclass of flavonoids known as flavanones, are the main bioactive compounds in citrus fruits, and they are known for their beneficial effects on human health. To investigate the effects of naringin and naringenin molecules on the cardiovascular system due to their antioxidant properties by molecular docking. To use molecular docking calculations to evaluate the activities of naringin and naringenin against antioxidant protein (PDB ID:1HD2).

Material and Methods: Molecular docking studies were performed using Chimera 1.17.3, Auto dock vina and BIOVIA Discovery Studio 2021 Client programmes.

Results: The binding affinity of Naringin and Naringenin to the 1HD2 target protein was calculated as -6.4 kcal/mol and -5.8 kcal/mol, respectively. Naringin ligand formed H bonds with GLY, CYS, ASN and ARG while Naringenin formed H bonds with ASN and ARG.

Discussion and Conclusion: The results of molecular docking analysis showed that the target receptor proteins and naringin have excellent potential for binding affinity and that this compound binds favourably to the active site against target proteins. Some chemical data such as hydroxyl group attached to the aromatic ring, hydrogen bonds and sp2 hybrid orbitals indicate the presence of different interactions, dipolar and hydrophobic (preferably pi-pi), with amino acid residues in the active pocket.

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