| ORIGINAL ARTICLE |
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| Year : 2023 | Volume
: 2
| Issue : 1 | Page : 43-54 |
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Elucidating the mechanism of anthocyanidins in selected axonal regeneration pathways In silico
John Sylvester Nas1, Iris Kate Del Callar2, Katlyn Keila Mendoza2, Precious Dianne Verde2, Francheska Anne Carapatan2, Lana Gabrielle Abesamis2, Jasmine Grace Hermano2, Angelica Navarette2, Jorlyn Anne Baldovino1
1 Department of Biology, College of Arts and Sciences, University of the Philippines Manila, Manila, Philippines
2 Department of Medical Technology, Institute of Arts and Sciences, Far Eastern University, Manila, Philippines
Correspondence Address:
John Sylvester Nas
Department of Biology, College of Arts and Sciences, University of the Philippines Manila, Manila
Philippines
 Source of Support: None, Conflict of Interest: None
DOI: 10.4103/jpdtsm.jpdtsm_2_23
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BACKGROUND: Anthocyanidins are plant pigments known for their protective effect against inflammation, cancer, and neurodegenerative diseases. Axonal degeneration has been a hallmark of several neurodegenerative and neuropathic illnesses.
AIM AND OBJECTIVE: Recently, several studies have attempted to stimulate axonal regeneration by targeting the mammalian target of rapamycin (mTOR), Nogo, and transforming growth factor (TGF) pathways.
MATERIALS AND METHODS: To illuminate an understanding of the potential of anthocyanidins to promote axon regeneration, we investigated anthocyanidins' physicochemical properties, binding affinity, and noncovalent interactions with enzymes downstream of mTOR, Nogo, and TGF beta (TGF-β) pathways that are known to inhibit axonal regeneration.
RESULTS: We discovered that the six anthocyanidins we examined have favorable blood-brain barrier permeability and high estimated oral bioavailability. Most of the anthocyanidins exhibited the highest binding affinity with GSK3, Ret4, and TGF-βR1 in the mTOR-, Nogo-, TGF-β pathway. These compounds demonstrated a high number of hydrophobic interactions and hydrogen bonds with the selected proteins, which may explain the high binding affinity.
CONCLUSION: Although our findings are inconclusive due to the limitation of the in silico study, the binding affinity of anthocyanidins with these inhibitory enzymes may modulate them. However, it does not ensure axonal regrowth, necessitating additional in vivo and in vitro research.
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