Coating of Remdesivir and Ivermectin on Silver Nanoparticles: First Principle Study
, R., Elsevier BV, doi:10.2139/ssrn.5021494, Nov 2024
Ivermectin for COVID-19
4th treatment shown to reduce risk in
August 2020, now with p < 0.00000000001 from 106 studies, recognized in 24 countries.
No treatment is 100% effective. Protocols
combine treatments.
6,200+ studies for
200+ treatments. c19early.org
|
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.
74 preclinical studies support the efficacy of ivermectin for COVID-19:
Ivermectin, better known for antiparasitic activity, is a broad spectrum antiviral with activity against many viruses including H7N771, Dengue37,72,73 , HIV-173, Simian virus 4074, Zika37,75,76 , West Nile76, Yellow Fever77,78, Japanese encephalitis77, Chikungunya78, Semliki Forest virus78, Human papillomavirus57, Epstein-Barr57, BK Polyomavirus79, and Sindbis virus78.
Ivermectin inhibits importin-α/β-dependent nuclear import of viral proteins71,73,74,80 , shows spike-ACE2 disruption at 1nM with microfluidic diffusional sizing38, binds to glycan sites on the SARS-CoV-2 spike protein preventing interaction with blood and epithelial cells and inhibiting hemagglutination41,81, shows dose-dependent inhibition of wildtype and omicron variants36, exhibits dose-dependent inhibition of lung injury61,66, may inhibit SARS-CoV-2 via IMPase inhibition37, may inhibit SARS-CoV-2 induced formation of fibrin clots resistant to degradation9, inhibits SARS-CoV-2 3CLpro54, may inhibit SARS-CoV-2 RdRp activity28, may minimize viral myocarditis by inhibiting NF-κB/p65-mediated inflammation in macrophages60, may be beneficial for COVID-19 ARDS by blocking GSDMD and NET formation82, may interfere with SARS-CoV-2's immune evasion via ORF8 binding4, may inhibit SARS-CoV-2 by disrupting CD147 interaction83-86, shows protection against inflammation, cytokine storm, and mortality in an LPS mouse model sharing key pathological features of severe COVID-1959,87, may be beneficial in severe COVID-19 by binding IGF1 to inhibit the promotion of inflammation, fibrosis, and cell proliferation that leads to lung damage8, may minimize SARS-CoV-2 induced cardiac damage40,48, may counter immune evasion by inhibiting NSP15-TBK1/KPNA1 interaction and restoring IRF3 activation88, may disrupt SARS-CoV-2 N and ORF6 protein nuclear transport and their suppression of host interferon responses1, reduces TAZ/YAP nuclear import, relieving SARS-CoV-2-driven suppression of IRF3 and NF-κB antiviral pathways35, increases Bifidobacteria which play a key role in the immune system89, has immunomodulatory51 and anti-inflammatory70,90 properties, and has an extensive and very positive safety profile91.
Study covers ivermectin and remdesivir.
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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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