Coating of Remdesivir and Ivermectin on Silver Nanoparticles: First Principle Study
, R., Elsevier BV, doi:10.2139/ssrn.5021494, Nov 2024
In silico study showing that silver nanoparticles could be used as a therapeutic drug delivery mechanism for remdesivir and ivermectin against SARS-CoV-2. Using Density Functional Theory calculations, authors find that both drugs bond strongly to the Ag(111) surface, with interaction energies of -2.16 eV for ivermectin and -2.03 eV for remdesivir. Molecular dynamics simulations show that the most electronegative atoms in each drug molecule have the strongest attraction to the silver atoms on the nanoparticle surface. The findings suggest silver nanoparticles coated with remdesivir or ivermectin could improve the efficacy and reduce the dosage requirements of these antiviral drugs for treating COVID-19.
Gérard, Zhou, Wu, Kamo, Choi, Kim show increased risk of acute kidney injury, Leo, Briciu, Muntean, Petrov show increased risk of liver injury, and Negru, Cheng, Mohammed show increased risk of cardiac disorders with remdesivir.
Study covers ivermectin and remdesivir.
1.
Gérard et al., Remdesivir and Acute Renal Failure: A Potential Safety Signal From Disproportionality Analysis of the WHO Safety Database, Clinical Pharmacology & Therapeutics, doi:10.1002/cpt.2145.
2.
Zhou et al., Acute Kidney Injury and Drugs Prescribed for COVID-19 in Diabetes Patients: A Real-World Disproportionality Analysis, Frontiers in Pharmacology, doi:10.3389/fphar.2022.833679.
3.
Wu et al., Acute Kidney Injury Associated With Remdesivir: A Comprehensive Pharmacovigilance Analysis of COVID-19 Reports in FAERS, Frontiers in Pharmacology, doi:10.3389/fphar.2022.692828.
4.
Kamo et al., Association of Antiviral Drugs for the Treatment of COVID-19 With Acute Renal Failure, In Vivo, doi:10.21873/invivo.13637.
5.
Choi et al., Comparative effectiveness of combination therapy with nirmatrelvir–ritonavir and remdesivir versus monotherapy with remdesivir or nirmatrelvir–ritonavir in patients hospitalised with COVID-19: a target trial emulation study, The Lancet Infectious Diseases, doi:10.1016/S1473-3099(24)00353-0.
6.
Kim et al., Investigating the Safety Profile of Fast‐Track COVID‐19 Drugs Using the FDA Adverse Event Reporting System Database: A Comparative Observational Study, Pharmacoepidemiology and Drug Safety, doi:10.1002/pds.70043.
7.
Leo et al., Hepatocellular liver injury in hospitalized patients affected by COVID-19: Presence of different risk factors at different time points, Digestive and Liver Disease, doi:10.1016/j.dld.2021.12.014.
8.
Briciu et al., Evolving Clinical Manifestations and Outcomes in COVID-19 Patients: A Comparative Analysis of SARS-CoV-2 Variant Waves in a Romanian Hospital Setting, Pathogens, doi:10.3390/pathogens12121453.
9.
Muntean et al., Effects of COVID-19 on the Liver and Mortality in Patients with SARS-CoV-2 Pneumonia Caused by Delta and Non-Delta Variants: An Analysis in a Single Centre, Pharmaceuticals, doi:10.3390/ph17010003.
10.
Petrov et al., The Effect of Potentially Hepatotoxic Medicinal Products on Alanine Transaminase Levels in COVID-19 Patients: A Case–Control Study, Safety and Risk of Pharmacotherapy, doi:10.30895/2312-7821-2025-458.
11.
Negru et al., Comparative Pharmacovigilance Analysis of Approved and Repurposed Antivirals for COVID-19: Insights from EudraVigilance Data, Biomedicines, doi:10.3390/biomedicines13061387.
Morad et al., 15 Nov 2024, preprint, 1 author.
Contact: rmorad@tlabs.ac.za.
In vitro studies are an important part of preclinical research, however results may be very different in vivo.
Coating of Remdesivir and Ivermectin on silver nanoparticles: First principle study
The rapid emergence of SARS-CoV-2 has necessitated the repurposing of existing drugs to manage the COVID-19 pandemic effectively. This study explores the potential of using silver nanoparticles as a delivery system for the antiviral drugs Remdesivir and Ivermectin, which are effective against the SARS-CoV-2 virus. Utilizing quantum chemistry computational methods, specifically Density Functional Theory (DFT) and Molecular Dynamics (MD), I investigated the interaction dynamics of these drugs when coated onto silver nanoparticles. This approach promises to improve the efficacy and reduce the dosage requirements for these antiviral drugs, offering a novel therapeutic strategy against viral infections like COVID-19.
Competing interests The authors declare no competing interests.
Author contributions R. Morad performed the DFT, and MD simulations, analyzed the results, and wrote the manuscript.
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