2020
DOI: 10.1002/ptr.6796
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High affinity interaction of Solanum tuberosum and Brassica juncea residue smoke water compounds with proteins involved in coronavirus infection

Abstract: The world is in an immediate need of treatment for coronavirus disease (COVID‐19). Chronic exposure of hydroxychloroquine in the treatment of COVID‐19 may have multiple adverse effects on human physiology, such as cardiac arrhythmias. Natural compounds need to be evaluated as treatment and preventive agents in coronavirus infection. A total of 30 compounds of Solanum tuberosum and Brassica juncea residue smoke water were selected for the virtual screening against S… Show more

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Cited by 19 publications
(11 citation statements)
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References 70 publications
(79 reference statements)
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“…As shown in table 1, docking score represent the maximum selectivity and binding affinity of MB with PLpro followed by TMPRSS2 and SARS-CoVRdRp. These results of docking study are in accordance with the previous findings of same protein targets [11] and utilization of MB [12] as a promising molecule to combat the coronavirus pandemic. As shown in table 1, MB showed selectivity against receptors which are found to be pivotal in attachment and infection of coronavirus in host cells [2,5,6] .…”
Section: Introductionsupporting
confidence: 91%
See 1 more Smart Citation
“…As shown in table 1, docking score represent the maximum selectivity and binding affinity of MB with PLpro followed by TMPRSS2 and SARS-CoVRdRp. These results of docking study are in accordance with the previous findings of same protein targets [11] and utilization of MB [12] as a promising molecule to combat the coronavirus pandemic. As shown in table 1, MB showed selectivity against receptors which are found to be pivotal in attachment and infection of coronavirus in host cells [2,5,6] .…”
Section: Introductionsupporting
confidence: 91%
“…As shown in table 1, MB showed selectivity against receptors which are found to be pivotal in attachment and infection of coronavirus in host cells [2,5,6] . Additionally, MB exhibited remarkable high affinity binding with protein targets compared to HCQ [11] . Moreover, MB has not been found with any reported side effect like hydroxycholorquine, which is responsible for cardiac arrhythmias [13] .…”
Section: Introductionmentioning
confidence: 99%
“…Sphingosine has been confirmed to prevent the binding of SARS‐CoV‐2 spikes to its cellular receptor ACE2 (Edwards et al., 2020 ). Its derivatives also act as a selective and potent candidate for COVID‐19 treatment (Dave et al., 2020 ). In addition, sphingosine 1‐phosphate mediated signaling was suggested to be a potential target for ameliorating neurological symptoms induced by SARS‐CoV‐2 (Meacci et al., 2020 ).…”
Section: Discussionmentioning
confidence: 99%
“…Antiviral activity of this plant against influenza virus was found through invitro studies (Lee et al, 2014). Curcumenol and N-Desmethylselegiline, two constituents of this plant, showed potential to be selective and strong lead compound against COVID-19 in-silico (Dave et al, 2020). Further studies are required to make conclusive decision in this regard.…”
Section: Garlicmentioning
confidence: 93%