Version 1
: Received: 6 January 2024 / Approved: 8 January 2024 / Online: 8 January 2024 (07:09:40 CET)
How to cite:
Ferrari, I.V.; Ravagnan, G. Polydatin in Cancer Research: Molecular Docking with UXS1 and Safety Profile Evaluation. Preprints2024, 2024010574. https://doi.org/10.20944/preprints202401.0574.v1
Ferrari, I.V.; Ravagnan, G. Polydatin in Cancer Research: Molecular Docking with UXS1 and Safety Profile Evaluation. Preprints 2024, 2024010574. https://doi.org/10.20944/preprints202401.0574.v1
Ferrari, I.V.; Ravagnan, G. Polydatin in Cancer Research: Molecular Docking with UXS1 and Safety Profile Evaluation. Preprints2024, 2024010574. https://doi.org/10.20944/preprints202401.0574.v1
APA Style
Ferrari, I.V., & Ravagnan, G. (2024). Polydatin in Cancer Research: Molecular Docking with UXS1 and Safety Profile Evaluation. Preprints. https://doi.org/10.20944/preprints202401.0574.v1
Chicago/Turabian Style
Ferrari, I.V. and Giampietro Ravagnan. 2024 "Polydatin in Cancer Research: Molecular Docking with UXS1 and Safety Profile Evaluation" Preprints. https://doi.org/10.20944/preprints202401.0574.v1
Abstract
Polydatin, a polyphenolic compound sourced from various natural origins, has garnered attention due to its potential anti-tumor properties and low toxicity. This research utilized Molecular Docking methods to investigate the molecular interactions between Polydatin and the Crystal Structure of Human UDP-glucuronic acid decarboxylase (UXS1), aiming to uncover the mechanisms contributing to its anti-tumor effects. The study revealed a substantial binding energy value of approximately -10 kcal/mol for the Polydatin-UXS1 interaction, indicating a robust and favorable binding. This suggests that Polydatin holds significant promise in cancer research, offering insights into its ability to interact with and potentially modulate the activity of UXS1. Moreover, the additional step of predicting toxicity properties using the pKCSM server provides valuable insights into the safety profiles of polydatin ( or piceid). From these results, the parameters for polydatin: —Max. tolerated dose (human),- Oral Rat Acute Toxicity (LD50), and - Oral Rat Chronic Toxicity (LOAEL)—suggest a favorable safety profile.These findings position Polydatin as a compelling candidate for further exploration in cancer research, highlighting both its efficacy and safety considerations.
Public Health and Healthcare, Public Health and Health Services
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.
