A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic

Duverger, Eric; Herlem, Guillaume; Picaud, Fabien

doi:10.1016/j.jmgm.2021.107834

Cited by 7 publications

(5 citation statements)

References 49 publications

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“…57 In addition, biocompatible nanomaterials such as boron nitride oxide nanosheets can improve the adsorption of drugs towards different parts of the viral protein; help the drug diffuse rapidly to the viral protein, and improve drug-virus interaction. 31 higher doses. 58 In addition, they are associated with short half-life, poor immunogenicity, non-targeting, slow absorption, and high storage and delivery requirements.…”

Section: Unsupported Benefits Of Repurposed Drugsmentioning

confidence: 98%

“…27,28 Molecular dynamics simulations of HCQ and azithromycin dual therapy demonstrated a promising effectiveness with different potential mechanisms of action against the open and closed viral protein forms. [29][30][31] HCQ-azithromycin combination approach showed a better clinical outcome in terms of mortality rates among elderly patients, intensive care unit transfers, length of hospital stay, and duration of viral shedding. 30 A systematic review, meta-analysis, and trial sequential analysis of ivermectin indicated that, using ivermectin for the prevention and treatment of COVID-19 is an equitable, acceptable, and feasible approach.…”

Section: Diagnostic and Management Approachesmentioning

confidence: 99%

Section: Nanostructure-based Covid-19 Managementmentioning

confidence: 99%

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Could Nanotechnology Help to End the Fight Against COVID-19? Review of Current Findings, Challenges and Future Perspectives

Yayehrad¹,

Siraj²,

Birhanu³

et al. 2021

IJN

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A serious viral infectious disease was introduced to the globe by the end of 2019 that was seen primarily from China, but spread worldwide in a few months to be a pandemic. Since then, accurate prevention, early detection, and effective treatment strategies are not yet outlined. There is no approved drug to counter its worldwide transmission. However, integration of nanostructured delivery systems with the current management strategies has promised a pronounced opportunity to tackle the pandemic. This review addressed the various promising nanotechnology-based approaches for the diagnosis, prevention, and treatment of the pandemic. The pharmaceutical, pharmacoeconomic, and regulatory aspects of these systems with currently achieved or predicted beneficial outcomes, challenges, and future perspectives are also highlighted.

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Section: Unsupported Benefits Of Repurposed Drugsmentioning

confidence: 98%

Section: Diagnostic and Management Approachesmentioning

confidence: 99%

See 1 more Smart Citation

Could Nanotechnology Help to End the Fight Against COVID-19? Review of Current Findings, Challenges and Future Perspectives

Yayehrad¹,

Siraj²,

Birhanu³

et al. 2021

IJN

View full text Add to dashboard Cite

show abstract

“…Before COVID-19 pandemic, two coronaviruses including severe acute respiratory syndrome coronavirus (SARS-CoV-1) and Middle East respiratory syndrome coronavirus (MERS-CoV) had been transmitted to human from animals [ 7 , 8 ]. Although SARS-CoV-2 has lower mortality rate (2.3%) with respect to SARS-CoV-1 (mortality rate 10%) and MERS-CoV (mortality rate 35%), it has higher reproductive number (2.0–2.5) with respect to SARS-CoV-1 (1.7–1.9) and MERS-CoV (< 1) [ 9 – 11 ]. Despite the lower mortality rate of SARS-CoV-2, it has killed more people with respect to SARS-CoV-1 and MERS-CoV because of its global pandemic outbreak.…”

Section: Introductionmentioning

confidence: 99%

High predictive QSAR models for predicting the SARS coronavirus main protease inhibition activity of ketone-based covalent inhibitors

2021

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In this research, a dataset including 29 ketone-based covalent inhibitors with SARS-CoV-1 3CL pro inhibition activity was used to develop high predictive QSAR models. Twenty-two molecules were put in train set and seven molecules in test set. By using stepwise MLR method for molecules in train set, four molecular descriptors including Mor26p, Hy, GATS7p and Mor04v were selected to build QSAR models. MLR and ANN methods were used to create QSAR models for predicting the activity of molecules in both train and test sets. Both QSAR models were validated by calculating several statistical parameters. R 2 values for the test set of MLR and ANN models were 0.93 and 0.95, respectively, and RMSE values for their test sets were 0.24 and 0.17, respectively. Other calculated statistical parameters (especially parameter) show that created ANN model has more predictive power with respect to developed MLR model (with four descriptor). Calculated leverages for all molecules show that predicted pIC 50 (by both QSAR models) for all molecules is acceptable, and drawn residuals plots show that there is no systematic error in building both QSAR modes. Also, based on developed MLR model, used molecular descriptors were interpreted.

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“…Table S3: Tabular representation of conventional hydrogen bonding and its bond length for top-ranked protein–ligand complexes. Table S4: Selection of top-ranked SARS-CoV-2 infection-causing ten key proteins/proteases identified by the literature review of 57 articles [ 1 , 2 , 3 , 4 , 5 , 6 , 44 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 , 112 , 113 , 114 , 115 , 116 , 117 , 118 , 119 , 120 , 121 , 122 , 123 , 124 , 125 , 126 , 127 , 128 , 129 , 130 , 131 , 132 , 133 , 134 , 135 , 136 , 137 , 138 , …”

mentioning

confidence: 99%

Exploring the Therapeutic Potential of Petiveria alliacea L. Phytochemicals: A Computational Study on Inhibiting SARS-CoV-2’s Main Protease (Mpro)

Ali,

Sheikh,

Yaseen

et al. 2024

Molecules

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The outbreak of SARS-CoV-2, also known as the COVID-19 pandemic, is still a critical risk factor for both human life and the global economy. Although, several promising therapies have been introduced in the literature to inhibit SARS-CoV-2, most of them are synthetic drugs that may have some adverse effects on the human body. Therefore, the main objective of this study was to carry out an in-silico investigation into the medicinal properties of Petiveria alliacea L. (P. alliacea L.)-mediated phytocompounds for the treatment of SARS-CoV-2 infections since phytochemicals have fewer adverse effects compared to synthetic drugs. To explore potential phytocompounds from P. alliacea L. as candidate drug molecules, we selected the infection-causing main protease (Mpro) of SARS-CoV-2 as the receptor protein. The molecular docking analysis of these receptor proteins with the different phytocompounds of P. alliacea L. was performed using AutoDock Vina. Then, we selected the three top-ranked phytocompounds (myricitrin, engeletin, and astilbin) as the candidate drug molecules based on their highest binding affinity scores of −8.9, −8.7 and −8.3 (Kcal/mol), respectively. Then, a 100 ns molecular dynamics (MD) simulation study was performed for their complexes with Mpro using YASARA software, computed RMSD, RMSF, PCA, DCCM, MM/PBSA, and free energy landscape (FEL), and found their almost stable binding performance. In addition, biological activity, ADME/T, DFT, and drug-likeness analyses exhibited the suitable pharmacokinetics properties of the selected phytocompounds. Therefore, the results of this study might be a useful resource for formulating a safe treatment plan for SARS-CoV-2 infections after experimental validation in wet-lab and clinical trials.

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A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic

Cited by 7 publications

References 49 publications

Could Nanotechnology Help to End the Fight Against COVID-19? Review of Current Findings, Challenges and Future Perspectives

Could Nanotechnology Help to End the Fight Against COVID-19? Review of Current Findings, Challenges and Future Perspectives

High predictive QSAR models for predicting the SARS coronavirus main protease inhibition activity of ketone-based covalent inhibitors

Exploring the Therapeutic Potential of Petiveria alliacea L. Phytochemicals: A Computational Study on Inhibiting SARS-CoV-2’s Main Protease (Mpro)

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