"In Vitro: Natural Compounds (Thymol, Carvacrol, Hesperidine, and Thymoquinone) against Sars-Cov2 Strain Isolated from Egypt"

Abstract

Background: The current pandemic of the coronavirus disease-2019 (COVID-19) has badly affected our life during the year 2020. SARS-CoV-2 is the primary causative agent of the newly emerged pandemic. Natural flavonoids, Terpenoid and Thymoquinone are tested against different viral and host-cell protein targets. These natural compounds have a good history in treating Hepatitis C Virus (HCV) and Human Immunodeficiency Virus (HIV). Methods: Molecular docking combined with cytotoxicity and plaque reduction assay is used to test the natural compounds against different viral (Spike, RdRp, and Mpro) and host-cell (TMPRSS II, keap 1, and ACE2) targets. Results: The results demonstrate the binding possibility of the natural compounds (Thymol, Carvacrol, Hesperidine, and Thymoquinone) to the viral main protease (Mpro). Some of these natural compounds were approved to start clinical trail from Egypt Center for Research and Regenerative Medicine ECRRM IRB (Certificate No.IRB00012517) Conclusion: Development of an effective anti-viral for SARS-CoV-2 could help to limit the viral load. Benchmarking testing of those natural compounds against other potential antivirals for SARS-CoV-2 with alternative mechanisms of action would thus be important as soon as practicable.

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

“…The concentration‐dependent cytotoxic effect of natural compounds, including thymol (617 μM), CAR (464 μM), hesperidin (5.58 μM), and thymoquinone (3.9 μM) on Vero E6 cell line has been shown. In addition, CAR, hesperidin, and thymoquinone showed comparable binding affinities (−7.0, −6.9, and − 6.9 kcal/mol, respectively) to SARS‐CoV‐2 Mpro with that of the standard compound (−7.2 kcal/mol) in molecular docking study 64 . The molecular interactions between mono‐terpenoids, including carvon, CAR, and thymol and spike protein of SARS‐CoV‐2 together with the cellular proteases TMPRSS2, cathepsin B (CatB), and cathepsin L (CatL) showed that the mono‐terpenoids has most effective molecule against all targets, which inhibited entry of the virus to the host cells 65 .…”

“…In addition, CAR, hesperidin, and thymoquinone showed comparable binding affinities (À7.0, À6.9, and À 6.9 kcal/ mol, respectively) to SARS-CoV-2 Mpro with that of the standard compound (À7.2 kcal/mol) in molecular docking study. 64 The molecular interactions between monoterpenoids, including carvon, CAR, and thymol and spike protein of SARS-CoV-2 together with the cellular proteases TMPRSS2, cathepsin B (CatB), and cathepsin L F I G U R E 4 Preventive effects of carvacrol on paraquat (PQ) induced toxicity. CAT, catalase; GPx, glutathione peroxidase; GSH, glutathione; MAPK, mitogen-activated protein kinase; MDA; malondialdehyde; ROS, reactive oxygen species; SOD, superoxide dismutase; ΔΨm, mitochondrial membrane potential.…”

Calcium Signals during SARS-CoV-2 Infection: Assessing the Potential of Emerging Therapies

“…Accordingly, a recent study has shown that administration of Nigella sativa L. (black cumin) over 2 weeks reduces the severity of COVID-19 symptoms and elicited viral clearance [ 159 ]. The active compound in N. sativa seems to be thymoquinone, which shows high efficacy against SARS-CoV-2 according to recently published findings [ 160 , 161 ]. The link to TRP channels is provided by yet another study, which finds that N. sativa also affects the expression of TRP channels [ 162 ].…”

Evaluation of Peppermint Leaf Flavonoids as SARS-CoV-2 Spike Receptor-Binding Domain Attachment Inhibitors to the Human ACE2 Receptor: A Molecular Docking Study

“…Some in vitro studies investigated the antiviral activity of flavonoids in combating SARS-CoV [64] [82] and SARS-CoV2 [83] [84] [85] [86] infection. Hesperetin, Luteolin, and Apigenin have been demonstrated as potent inhibitors of SARS-CoV-2 3CLpro in vitro and can be considered proper candidates for further optimization and development of therapeutic interventions, particularly those related to inflammation processes and immunity [86].…”