Preprint Communication Version 1 Preserved in Portico This version is not peer-reviewed

Polydatin against HIV Proteases

Version 1 : Received: 15 November 2023 / Approved: 16 November 2023 / Online: 16 November 2023 (11:21:25 CET)

How to cite: FERRARI, I. V.; Ferrari, I. V. Polydatin against HIV Proteases. Preprints 2023, 2023111039. https://doi.org/10.20944/preprints202311.1039.v1 FERRARI, I. V.; Ferrari, I. V. Polydatin against HIV Proteases. Preprints 2023, 2023111039. https://doi.org/10.20944/preprints202311.1039.v1

Abstract

Summary— Introduction: HIV (human immunodeficiency virus) is a virus that attacks and destroys one type of white blood cell, in particular, the CD4 lymphocytes, which are responsible for the body's immune response. This weakens the immune system to such an extent that it can no longer fight other viruses, bacteria, protozoa, fungi, and tumors. Methods: We investigated the potential biological role of the natural compound Polydatin (or piceid) using SwissDock, a web service to predict the molecular interactions that can occur between a target protein and a small molecule. Discussion: For the first time, we have investigated the role of polydatin against HIV-1 protease and HIV-2 protease through a computational approach by comparing their estimated ΔG values (kcal/mol) and the nature of the interactions between the residues in the catalytic center of the HIV proteases.Conclusion: From these simulations, Polydatin has excellent physical properties and an excellent estimated ΔG value (kcal/mol) of about -9.9 kcal/mol against HIV-2 protease and ΔG value (kcal/mol) of about -9.5 kcal/mol against HIV-1 protease. In addition, Polydatin was able to bind to two key amino acids of the catalytic triad sequence common to asparagine proteases (Asp25 and Gly27)

Keywords

Polydatin; HIV; Docking method; Swiss Dock Server

Subject

Medicine and Pharmacology, Medicine and Pharmacology

Comments (0)

We encourage comments and feedback from a broad range of readers. See criteria for comments and our Diversity statement.

Leave a public comment
Send a private comment to the author(s)
* All users must log in before leaving a comment
Views 0
Downloads 0
Comments 0


×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.
We use cookies on our website to ensure you get the best experience.
Read more about our cookies here.