The inactivation mechanism of chemical disinfection against SARS-CoV-2: from MD and DFT perspectives

Tan, Chunjian; Gao, Chenshan; Zhou, Quan; Driel, W.D. van; Chen, Xianping; Zhang, Guoqi

doi:10.1039/d0ra06730j

Cited by 5 publications

(6 citation statements)

References 56 publications

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“…Tan et al have mentioned that chlorinated disinfectants, 75% ethanol, and heat showed effective inactivation of SARS-CoV-2. 30 Criscuolo et al also presented that ozone (4 ppm) exposure for 120 min led to 98.2%, 99.8%, 99.8%, 90%, and 93.3% viral titer reduction of SARS-CoV-2 on glass, gauze, sanitize fleece, plastic, and wood surface, respectively. While UV-C light (1.8 mW/cm 2 ) irradiation for 15 min displayed an absolute antiviral property (>99.9%) on glass, plastic, and gauze; 90% and 94.4% titer decrease on fleece and wool, respectively.…”

Section: Introductionmentioning

confidence: 96%

Cold atmospheric plasma: A non-negligible strategy for viral RNA inactivation to prevent SARS-CoV-2 environmental transmission

Jin

Dai

et al. 2021

AIP Advances

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Cold atmospheric plasma (CAP), regarded as a powerful physics technology, displays antimicrobial, antitumor, and even antiviral properties, but the underlying mechanism is rarely studied. In this study, four CAP exposure doses (30, 60, 120, and 240 s) were applied to inactivate a severe acute respiratory syndrome coronavirus 2 like pseudovirus on a stainless steel disk, which comprised spike protein on its membrane and can express a green fluorescent protein. In order to unravel the potential effects of CAP irradiation on pseudovirus, infection assay, optical emission spectra analysis, transmission electron microscopy (TEM), sodium dodecyl sulfate polyacrylamide gel electrophoresis, ELISA, and qPCR experiments were carried out. As a result, our study indicated that CAP irradiation can significantly decrease the infectivity of pseudovirus in a dose dependent manner through destroying the cell membrane and further damaging viral RNA, with the molecular weight and conformation of spike receptor binding domain protein unchanged.

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Section: Introductionmentioning

confidence: 96%

Cold atmospheric plasma: A non-negligible strategy for viral RNA inactivation to prevent SARS-CoV-2 environmental transmission

Jin

Dai

et al. 2021

AIP Advances

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“…MEP maps created with computational methods estimate sites that are especially sensitive to electrophilic and nucleophilic interactions of molecular structures before molecular docking [103][104][105]. Software programs that researchers frequently use include AMBER, AVOGADRO, DMOL3, GAUSSIAN, HYPERCHEM, JAGUAR, and MOE [106][107][108][109][110][111][112][113][114].…”

Section: Computer Aided Drug Designmentioning

confidence: 99%

A Multidisciplinary Approach to Coronavirus Disease (COVID-19)

Ertürk

Şahin

et al. 2021

Molecules

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Since December 2019, humanity has faced an important global threat. Many studies have been published on the origin, structure, and mechanism of action of the SARS-CoV-2 virus and the treatment of its disease. The priority of scientists all over the world has been to direct their time to research this subject. In this review, we highlight chemical studies and therapeutic approaches to overcome COVID-19 with seven different sections. These sections are the structure and mechanism of action of SARS-CoV-2, immunotherapy and vaccine, computer-aided drug design, repurposing therapeutics for COVID-19, synthesis of new molecular structures against COVID-19, food safety/security and functional food components, and potential natural products against COVID-19. In this work, we aimed to screen all the newly synthesized compounds, repurposing chemicals covering antiviral, anti-inflammatory, antibacterial, antiparasitic, anticancer, antipsychotic, and antihistamine compounds against COVID-19. We also highlight computer-aided approaches to develop an anti-COVID-19 molecule. We explain that some phytochemicals and dietary supplements have been identified as antiviral bioproducts, which have almost been successfully tested against COVID-19. In addition, we present immunotherapy types, targets, immunotherapy and inflammation/mutations of the virus, immune response, and vaccine issues.

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“…The emergence of SARS-CoV-2 virus has become a serious threat to public health. 1 Since the end of 2019, the world has been trying to control the pandemic outbreak caused by COVID-19 disease, which as of September 14, 2021, had caused 4,547,782 deaths in 219,456,675 cases of infection. 2 Identified in 1960, coronaviruses are a family of viruses that naturally reside in animals, mainly in some species of bats.…”

Section: Introductionmentioning

confidence: 99%

“…11 These products available on the market are effective in a very short space of time due to their high rate of evaporation, corrosivity, and immediate action, implying frequent applications on surfaces to be disinfected. 1 Due to this fact, there is a market need to develop new materials that maximize the action of these disinfecting agents to prolong the sterilization time and reduce the need and frequency of their application by the end-user. Microencapsulation appears as an alternative to overcome this limitation.…”

Section: Introductionmentioning

confidence: 99%

PMMA Microcapsules for the Inactivation of SARS-CoV-2

et al. 2022

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Surface disinfection currently plays a decisive role in the epidemiological situation caused by the SARS-CoV-2 coronavirus. However, most disinfection products available on the market have a high evaporation rate and only an immediate action and not continuous, creating the need for a high frequency of disinfection. To overcome this limitation, in the present work, poly(methyl methacrylate) (PMMA) microcapsules were developed with an active agent (hydrogen peroxide) encapsulated, which has the ability to inactivate/neutralize the SARS-CoV-2 virus. PMMA-H 2 O 2 microcapsules have a spherical shape and a smooth structure with low porosity and were successfully attached to nonwoven fabrics, as observed from scanning electron microscopy. The thermogravimetric analysis shows that PMMA-H 2 O 2 microcapsules have high thermal stability and can increase the stability of H 2 O 2 . Nonfabric substrates functionalized with PMMA-H 2 O 2 microcapsules were tested by a highly sensitive and specific reverse transcription-quantitative real-time polymerase chain reaction (RT-qPCR)-based method to evaluate antiviral activity through the degradation of SARS-CoV-2 deoxyribonucleic acids. The highest percentage of viral nucleic acid elimination was obtained when exposing the viral sample for 1 h to PMMA-H 2 O 2 microcapsules, resulting in an elimination of >97% of the coronavirus. In addition, the microcapsules are stable over a period of three weeks and retain the ability to eliminate SARS-CoV-2. Hence, it is demonstrated that this microcapsule system is efficient for SARS-CoV-2 elimination and inherent surface disinfection.

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The inactivation mechanism of chemical disinfection against SARS-CoV-2: from MD and DFT perspectives

Abstract: Exploring effective disinfection methods and understanding their mechanisms on the new coronavirus is becoming more active due to the outbreak of novel coronavirus pneumonia (COVID-19) caused by severe acute respiratory coronavirus 2 (SARS-CoV-2).

Cited by 5 publications

References 56 publications

Cold atmospheric plasma: A non-negligible strategy for viral RNA inactivation to prevent SARS-CoV-2 environmental transmission

Cold atmospheric plasma: A non-negligible strategy for viral RNA inactivation to prevent SARS-CoV-2 environmental transmission

A Multidisciplinary Approach to Coronavirus Disease (COVID-19)

PMMA Microcapsules for the Inactivation of SARS-CoV-2

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