Integrating in silico and in vivo approach for investigating the role of polyherbal oil in prevention and treatment of COVID-19 infection

Bahl, Amul S; Verma, Vipin; Bhatia, Jagriti; Arya, Dharamvir S

doi:10.1016/j.cbi.2022.110179

Cited by 5 publications

(3 citation statements)

References 44 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To gain structural insights and understand the binding mode of molecular structures and protein targets, we applied molecular docking processes that were previously described as an efficient in silico approach [ 60 ]. Various experiments revealed that EOs could contribute to preventing the entry of SARS-CoV-2 into the human body and investigated the efficacy of EO compounds in the prevention and treatment of COVID-19 [ 31 , 59 , 61 , 62 , 63 ]. Da Silva et al used molecular docking analysis to determine the interaction of 171 essential oil components with SARS-CoV-2, showing that the compound with the best-normalized docking score to SARS-CoV-2 Mpro was the sesquiterpene hydrocarbon (E)-β-farnesene [ 64 ].…”

Section: Resultsmentioning

confidence: 99%

Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations

Benali

Lemhadri

Harboul

et al. 2023

Plants

View full text Add to dashboard Cite

The aim of this study was the determination of the chemical compounds of Lavandula stoechas essential oil from Aknol (LSEOA), Khenifra (LSEOK), and Beni Mellal (LSEOB), and the in vitro investigation of their antibacterial, anticandidal, and antioxidant effects, and in silico anti-SARS-CoV-2 activity. The chemical profile of LSEO was determined using GC-MS-MS analysis, the results of which showed a qualitative and quantitative variation in the chemical composition of volatile compounds including L-fenchone, cubebol, camphor, bornyl acetate, and τ-muurolol; indicating that the biosynthesis of essential oils of Lavandula stoechas (LSEO) varied depending on the site of growth. The antioxidant activity was evaluated using the ABTS and FRAP methods, our results showed that this tested oil is endowed with an ABTS inhibitory effect and an important reducing power which varies between 4.82 ± 1.52 and 15.73 ± 3.26 mg EAA/g extract. The results of antibacterial activity of LSEOA, LSEOK and LSEOB, tested against Gram-positive and Gram-negative bacteria, revealed that B. subtilis (20.66 ± 1.15–25 ± 4.35 mm), P. mirabilis (18.66 ± 1.15–18.66 ± 1.15 mm), and P. aeruginosa (13.33 ± 1.15–19 ± 1.00 mm) are the most susceptible strains to LSEOA, LSEOK and LSEOB of which LSEOB exhibits bactericidal effect against P. mirabilis. furthermore The LSEO exhibited varying degrees of anticandidal activity with an inhibition zones of 25.33 ± 0.5, 22.66 ± 2.51, and 19 ± 1 mm for LSEOK, LSEOB, and LSEOA, respectively. Additionally, the in silico molecular docking process, performed using Chimera Vina and Surflex-Dock programs, indicated that LSEO could inhibit SARS-CoV-2. These important biological properties of LSEO qualify this plant as an interesting source of natural bioactive compounds with medicinal actions.

show abstract

Section: Resultsmentioning

confidence: 99%

Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations

Benali

Lemhadri

Harboul

et al. 2023

Plants

View full text Add to dashboard Cite

show abstract

“…The results stated that using this polyherbal essential oil mixture before and after infection improved the course of the disease. 73 Pelvan et al have developed an oral/throat spray formulation with the essential oils of Salvia triloba, Origanum onites, Mentha piperita, C. limonum, and P. graveolens for prophylactic use in SARS-CoV-2 infection. The formulation was examined using Vero E6 cells, and the antiviral, antimicrobial, anti-inflammatory, and analgesic effects were confirmed.…”

Section: The Other Studiesmentioning

confidence: 99%

Potential Use and Effects of Essential Oils in SARS-CoV-2 (COVID-19): Traditional Review

AVCI,

ÖNDER

2024

J Lit Pharm Sci

View full text Add to dashboard Cite

ABS TRACT Severe acute respiratory syndrome-coronavirus-2 (SARS-COV-2), a new type of beta coronavirus that emerged in Wuhan, China, and caused a pandemic, was declared coronavirus disease-2019 (COVID-19) by the World Health Organization on February 12, 2020. Natural remedies from plants have been used traditionally for thousands of years. The global interest in drug development from natural products has grown tremendously. The interest in essential oils, which attract attention with their rich and original content, is increasing in this direction. It is thought that essential oils, which are effective against various microorganisms, may help treat COVID-19 due to their anti-inflammatory, immunomodulatory, bronchodilator, antibacterial, and antiviral properties. This review briefly describes the current biology, epidemiology, and clinical aspects of COVID-19 and essential oil's activity on SARS-COV-2 by considering its effectiveness in this field. It has been observed that most of the studies on this subject consist of in silico and in vitro studies. In this context, molecular docking studies have come into prominence. However, in vivo and clinical studies of essential oils with notable antiviral-antibacterial effects must be increased. Therefore, essential oils and their active components will be promising potential drug candidates against COVID-19, and their numbers will potentially grow. In conclusion, the present review is focused on the most common and well-known essential oils available on the pharmaceutical markets, which show visible activities, especially against enveloped viruses, including COVID-19.

show abstract

“…Furthermore, eugenol operates via the reduction of IL-1β, IL-4, IL-5, IL-6, and IL-10 levels, downregulation of pro-inflammatory cytokines IL-6 and TNFα, and inhibition of NF-κB, ERK1/2, and p38 MAPK signaling pathways. In multiple docking studies, the binding energy of eugenol with SARS-CoV-2 E (envelope) protein, M (membrane) protein, S (spike) protein and ACE-2 receptor was found to be −17.87, −24.58, −22.04 and −26.87 kcal/mol, respectively, which demonstrated eugenol's ability to prevent viral entry into the host [ 205 ]. Furthermore, in the same study, the authors conducted in-vivo tests on hamster models by dividing the group into 5, Group 1: Control (n = 3); Group 2: Infected (n = 5); Group 3: Infected + Remdesivir (n = 5); Group 4: Infected + FEO (n = 5) and Group 5: Prophylactic FEO + Infected (n = 5).…”

Section: Natural Immunomodulators Studied Against Sars-cov-2mentioning

confidence: 99%

Plausibility of natural immunomodulators in the treatment of COVID-19–A comprehensive analysis and future recommendations

Akter

Rahman²,

Ahmed

et al. 2023

Heliyon

View full text Add to dashboard Cite

Integrating in silico and in vivo approach for investigating the role of polyherbal oil in prevention and treatment of COVID-19 infection

Cited by 5 publications

References 44 publications

Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations

Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations

Potential Use and Effects of Essential Oils in SARS-CoV-2 (COVID-19): Traditional Review

Plausibility of natural immunomodulators in the treatment of COVID-19–A comprehensive analysis and future recommendations

Contact Info

Product

Resources

About