In Silico Study on Spice-Derived Antiviral Phytochemicals Against SARS-CoV-2 TMPRSS2 Target

Yadav, Pradeep Kumar; Jaiswal, Amit; Singh, Rajiv

doi:10.26434/chemrxiv.12753539.v1

Cited by 2 publications

(3 citation statements)

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“…Subsequently, the catalytic domain of TMPRSS2 was docked against the eighteen selected phytochemicals. Following it, the target-inhibitor complex's stability was analyzed using molecular dynamic simulation, which indicated thymol as a better inhibitor due to their stable binding with TMPRSS2, inducing subtle modification in the spatial arrangement of the catalytic triad residues [192] .…”

Section: Thymol As a Spike Protein Inhibitormentioning

confidence: 99%

Natural products can be used in therapeutic management of COVID-19: Probable mechanistic insights

Ali

Alam

Khatoon

et al. 2022

Biomedicine & Pharmacotherapy

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The unexpected emergence of the new Coronavirus disease (COVID-19) has affected more than three hundred million individuals and resulted in more than five million deaths worldwide. The ongoing pandemic has underscored the urgent need for effective preventive and therapeutic measures to develop anti-viral therapy. The natural compounds possess various pharmaceutical properties and are reported as effective anti-virals. The interest to develop an anti-viral drug against the novel severe acute respiratory syndrome Coronavirus (SARS-CoV-2) from natural compounds has increased globally. Here, we investigated the anti-viral potential of selected promising natural products. Sources of data for this paper are current literature published in the context of therapeutic uses of phytoconstituents and their mechanism of action published in various reputed peer-reviewed journals. An extensive literature survey was done and data were critically analyzed to get deeper insights into the mechanism of action of a few important phytoconstituents. The consumption of natural products such as thymoquinone, quercetin, caffeic acid, ursolic acid, ellagic acid, vanillin, thymol, and rosmarinic acid could improve our immune response and thus possesses excellent therapeutic potential. This review focuses on the anti-viral functions of various phytoconstituent and alkaloids and their potential therapeutic implications against SARS-CoV-2. Our comprehensive analysis provides mechanistic insights into phytoconstituents to restrain viral infection and provide a better solution through natural, therapeutically active agents.

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Section: Thymol As a Spike Protein Inhibitormentioning

confidence: 99%

Natural products can be used in therapeutic management of COVID-19: Probable mechanistic insights

Ali

Alam

Khatoon

et al. 2022

Biomedicine & Pharmacotherapy

View full text Add to dashboard Cite

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“…CAR also increased viral titer compared to the RSV‐PBS group, 62 but decreased levels of TLR7, MyD88, NF‐κB, and IRF mRNA in virus infected model 63 . The molecular dynamic simulation studies indicated that molecular interactions between CAR and spike protein of SARS‐CoV‐2 together with the cellular proteases TMPRSS2, showed that the CAR could inhibit the entry of the virus to the host cells 65,67 …”

Section: Resultsmentioning

confidence: 95%

“…The binding energies of these mono‐terpenoids were found to be in the range of −3.4/−3.7 kcal 66 . Molecular dynamic simulation (MDS) analysis showed CAR and thymol as better inhibitors than the camostat (a well‐known synthetic inhibitor of TMPRSS2) due to their stable binding 32 with TMPRSS2 in its oxyanion hole 67 . The results of a study suggest that the CAR could serve as potential inhibitor in regulating the main protease (M pro ) of COVID‐19 function and controlling viral replication 68 …”

Section: Resultsmentioning

confidence: 99%

Experimental and clinical evidence on the effect of carvacrol on respiratory, allergic, and immunologic disorders: A comprehensive review

2022

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Carvacrol (CAR) showed various pharmacological and therapeutic effects in different disorders. In the current article, the experimental and clinical effects of CAR on respiratory, allergic, and immunologic disorders are described. Various databases, including PubMed, Science Direct, and Scopus, were searched regarding the effects of CAR on respiratory and allergic disorders until the end of October 2021. CAR showed the relaxant effect, with various possible mechanisms suggesting the bronchodilatory effect in obstructive pulmonary diseases. The preventive effects of CAR on experimental animal models of respiratory diseases were shown through mechanisms such as antioxidant, immunomodulatory, and anti‐inflammatory. CAR also showed therapeutic potential on lung cancer, lung infections, and allergic and immunologic disorders. Clinical studies also revealed therapeutic effects of CAR on asthma, sulfur‐mustard‐induced lug disorders, and some other allergic and immunologic diseases. Pharmacological and therapeutic effects of CAR indicate possible remedy effects of this agent in the treatment of respiratory, allergic, and immunologic diseases.

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In Silico Study on Spice-Derived Antiviral Phytochemicals Against SARS-CoV-2 TMPRSS2 Target

Cited by 2 publications

References 0 publications

Natural products can be used in therapeutic management of COVID-19: Probable mechanistic insights

Natural products can be used in therapeutic management of COVID-19: Probable mechanistic insights

Experimental and clinical evidence on the effect of carvacrol on respiratory, allergic, and immunologic disorders: A comprehensive review

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