ArticleScientific reports2021
First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles.
Article in Scientific reports, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Investigating adsorption of 5-fluorouracil and 6-mercaptopurine on icosahedral silver nanoparticles through DFT and TDDFT.Scientific reports · 2025Article
- Interaction of some phytochemical compounds with Er2O3 nanoparticle: First principle study.Journal of molecular modeling · 2025Article
- Localized surface plasmon resonance sensing of Trenbolone acetate dopant using silver nanoparticles.Scientific reports · 2024Article
- Ionome mapping and amino acid metabolome profiling of Phaseolus vulgaris L. seeds imbibed with computationally informed phytoengineered copper sulphide nanoparticles.Discover nano · 2024Article
- Nano-based techniques: A revolutionary approach to prevent covid-19 and enhancing human awareness.Journal of drug delivery science and technology · 2023Review
- Physical properties of computationally informed phyto-engineered 2-D nanoscaled hydronium jarosite.Scientific reports · 2023Article
- Advanced Plasmonic Nanoparticle-Based Techniques for the Prevention, Detection, and Treatment of Current COVID-19.Plasmonics (Norwell, Mass.) · 2023Review
- An overview on nanoparticle-based strategies to fight viral infections with a focus on COVID-19.Journal of nanobiotechnology · 2022Review
- A systemic review on liquid crystals, nanoformulations and its application for detection and treatment of SARS - CoV- 2 (COVID - 19).Journal of molecular liquids · 2022Review
- Anti-COVID-19 Nanomaterials: Directions to Improve Prevention, Diagnosis, and Treatment.Nanomaterials (Basel, Switzerland) · 2022Review
- Article
- Review
- On the importance of physicochemical parameters of copper and aminosilane functionalized mesoporous silica for hydroxychloroquine release.Materials science & engineering. C, Materials for biological applications · 2021Article
- Nanotechnology based solutions to combat zoonotic viruses with special attention to SARS, MERS, and COVID 19: Detection, protection and medication.Microbial pathogenesis · 2021Review
- Nanotechnology against COVID-19: Immunization, diagnostic and therapeutic studies.Journal of controlled release : official journal of the Controlled Release Society · 2021Review
- Various theranostics and immunization strategies based on nanotechnology against Covid-19 pandemic: An interdisciplinary view.Life sciences · 2021Review
- Emerging Therapeutic Approaches to Combat COVID-19: Present Status and Future Perspectives.Frontiers in molecular biosciences · 2021Review
- Could Nanotechnology Help to End the Fight Against COVID-19? Review of Current Findings, Challenges and Future Perspectives.International journal of nanomedicine · 2021Review
- An overview of the use of biomaterials, nanotechnology, and stem cells for detection and treatment of COVID-19: towards a framework to address future global pandemics.Emergent materials · 2021Review
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
From the first month of the COVID-19 pandemic, the potential antiviral properties of hydroxychloroquine (HCQ) and chloroquine (CQ) against SARS-CoV-2 suggested that these drugs could be the appropriate therapeutic candidates. However, their side effects directed clinical tests towards optimizing safe utilization strategies. The noble metal nanoparticles (NP) are promising materials with antiviral and antibacterial properties that can deliver the drug to the target agent, thereby reducing the side effects. In this work, we applied both the quantum mechanical and classical atomistic molecular dynamics approaches to demonstrate the adsorption properties of HCQ/CQ on Ag, Au, AgAu, and Pt nanoparticles. We found the adsorption energies of HCQ/CQ towards nanoparticles have the following trend: PtNP > AuNP > AuAgNP > AgNP. This shows that PtNP has the highest affinity in comparison to the other types of nanoparticles. The (non)perturbative effects of this drug on the plasmonic absorption spectra of AgNP and AuNP with the time-dependent density functional theory. The effect of size and composition of NPs on the coating with HCQ and CQ were obtained to propose the appropriate candidate for drug delivery. This kind of modeling could help experimental groups to find efficient and safe therapies.
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