Anti-phytoviral Activity of Carvacrol vis-a-vis Cauliflower Mosaic Virus (CaMV)

Bansal, Anu; Jan, Iqra; Sharma, Neeta

doi:10.1007/s40011-020-01166-2

Cited by 4 publications

(1 citation statement)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Based on a literature survey, we tested eighteen phytochemical compounds with reported antiviral properties including, Allicin (Xie et al,2020), Bornyl acetate , Capsaicin (Tang et al, 2020), Carvacrol (Bansal et al, 2020), Catechol (Mishra et al, 2020), Cinnamic acid (Silva et al, 2020), Curcumin (Bonfim et al, 2020), Eucalyptol (Patra et al, 2020), Gallic acid (Arsianti et al, 2020), Geraniol (Wei et al, 2020), Linalool (Del Bosco et al, 2020, Nicotinic acid (Corona et al, 2020), Phytic acid (Narayanaswamy and Esa 2018), Piperine (Chandani et al, 2019), Quercetin (Nile et al, 2020;Lopes et al, 2020;Aggarwa et al, 2020), Resorcinol (Lee et al, 2019), Terpinen-4-ol (Patra et al, 2020) and Viridiflorene (Shayeganmehr et al, 2018). Additionally, we have used as molecular docking controls, two FDA-approved old antimalarial drug, Chloroquine and Hydroxychloroquine (an analogue of chloroquine) recommended for treating COVID-19 patients (Gautret et al, 2020).…”

Section: Methodsmentioning

confidence: 99%

Theoretical Molecular Docking Study of the Structural Disruption of the Viral 3CL-Protease of COVID19 Induced by Binding of Capsaicin, Piperine and Curcumin Part 1: A Comparative Study with Chloroquine and Hydrochloroquine Two Antimalaric Drugs

González

Lossada

Moncayo

et al. 2020

Preprint

View full text Add to dashboard Cite

The global pandemic caused by infections of the new coronavirus (COVID-19) makes it necessary to find possible less toxic and easily accessible therapeutic agents. In this study, we used strategies docking and molecular dynamics to analyze phytochemical compounds against FDA-approved antimalarial drugs recommended for the treatment of COVID-19. The evaluation was performed with the docking scores MolDock Score and Rerank Score calculated by Molegro Molecular. The DockThor server was used to generate the complexes and myPresto for the dynamic studies. Preliminary results suggested that piperine, capsaicin, and curcumin have the best docking scores and that they are capable of promoting structural changes in the viral protease by inducing folding of the enzyme. Curcumin and capsaicin bring the enzyme to a more compact conformational state compared to the native state, compared to chloroquine. Even though, it is unknown if these induced changes in protease are related to any inhibitory effect observed both in vitro and in vivo for any of these compounds. Further studies on the mechanisms of action of these compounds of interest are required, as well as experimental demonstrations. However, these results are interesting because they can serve as a starting point for subsequent experimental or/and in silico studies based on chemical structure-activity relationships taking these small molecules and their possible derivatives.

show abstract