Version 1
: Received: 5 December 2023 / Approved: 6 December 2023 / Online: 6 December 2023 (10:32:50 CET)
How to cite:
FERRARI, I.V.; Ravagnan, G. Computational Insights into Polydatin: Unraveling Therapeutic Opportunities through Interactions with Rab Proteins. Preprints2023, 2023120367. https://doi.org/10.20944/preprints202312.0367.v1
FERRARI, I.V.; Ravagnan, G. Computational Insights into Polydatin: Unraveling Therapeutic Opportunities through Interactions with Rab Proteins. Preprints 2023, 2023120367. https://doi.org/10.20944/preprints202312.0367.v1
FERRARI, I.V.; Ravagnan, G. Computational Insights into Polydatin: Unraveling Therapeutic Opportunities through Interactions with Rab Proteins. Preprints2023, 2023120367. https://doi.org/10.20944/preprints202312.0367.v1
APA Style
FERRARI, I.V., & Ravagnan, G. (2023). Computational Insights into Polydatin: Unraveling Therapeutic Opportunities through Interactions with Rab Proteins. Preprints. https://doi.org/10.20944/preprints202312.0367.v1
Chicago/Turabian Style
FERRARI, I.V. and Giampietro Ravagnan. 2023 "Computational Insights into Polydatin: Unraveling Therapeutic Opportunities through Interactions with Rab Proteins" Preprints. https://doi.org/10.20944/preprints202312.0367.v1
Abstract
Molecular docking, a computational method predicting how molecules bind to target proteins, is employed in this study to explore Polydatin's interactions with Ras-related protein Rab (Rab) proteins using the Mcule Database. This database validates the docking results and offers insights into the pharmacological properties of Polydatin. Notably, specific Rab proteins like Rab-5A, HRas, and Rab-18 exhibit robust interactions with Polydatin, indicated by favorable binding energies.These findings illuminate the potential roles of Polydatin in therapeutic and biological contexts, emphasizing its interaction with Rab proteins. The Mcule Database enhances the credibility of the study, providing additional perspectives on Polydatin's applications. The observed interactions, particularly with key proteins like HRas, present a promising avenue for modulating cellular signaling pathways. This modulation holds therapeutic potential, potentially addressing conditions associated with pathway overactivity, including specific cancer types.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
