Randomized trial demonstrates improved antiviral activity in SARS-CoV-2 targets using rutin-enhanced nanoparticles, suggesting new treatment avenues.
Key Points
This research aims to evaluate whether adding rutin to a nanoparticle system increases its effectiveness against SARS-CoV-2.
Incorporated rutin into β-escin-functionalized gold and silver nanoparticles.
Conducted molecular docking and 100-ns molecular dynamics simulations using AutoDock Vina and GROMACS.
Investigated binding interactions against seven SARS-CoV-2 proteins.
AuNP conjugates showed higher affinity for spike–ACE2 complexes (binding free energy ≈-0.17 kcal/mol).
AgNPs preferentially bound with RdRp showing binding free energy of ≈-0.13 kcal/mol.
β-Escin revealed significant binding to targets, especially Mpro (-9.02 kcal/mol for AuNP, -9.04 kcal/mol for AgNP), enhancing overall stability and multi-target efficacy.