The Ethanol Extract of Evodiae Fructus and Its Ingredient, Rutaecarpine, Inhibit Infection of SARS-CoV-2 and Inflammatory Responses

Lin, Shengying; Wang, Xiaoyang; Guo, Hongsheng; Dai, Niyu; Tang, Roy Wai-Lun; Lee, Hung Chun; Leung, Ka Wing; Dong, Tina Tingxia; Webb, Sarah; Miller, Andrew L.; Tsim, Karl Wah-Keung

doi:10.3390/ijms24010762

Cited by 3 publications

(3 citation statements)

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“…The active site of the 3CL protease has previously been identified, and compounds binding to this site were reported to lead to protein suppression and a reduction in viral replication [ 19 ]. In addition, we previously demonstrated, using an in vitro assay, that rutaecarpine could bind to the active site of the 3CL protease, expressing inhibitory effectiveness towards the protein [ 18 ]. Here, somewhat intriguingly, it was found that RU-75 formed an extra H-bond with the His164 residue, while RU-184 established H-bonds with the Asn142, His164 and Glu166 residues at the desired pocket.…”

Section: Resultsmentioning

confidence: 99%

“…RNA was then extracted, and the levels of TNF-α, IL-6, and IL-1β mRNA were measured by RT-PCR. The RNA extraction and RT-PCR protocol were previously described [ 18 ].…”

Section: Methodsmentioning

confidence: 99%

“…In our previous reports, we demonstrated that rutaecarpine (a pentacyclic indolopyridoquinazolinone alkaloid from Evodia rutaecarpa (Juss.) Benth) inhibited the formation of the S-protein–ACE2 complex and prevented the entry of SARS-CoV-2 into host cells [ 18 ]. In addition, rutaecarpine was shown to inhibit the 3CL protease, which suggests that this alkaloid might help to suppress viral replication.…”

Section: Introductionmentioning

confidence: 99%

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Computational Docking as a Tool in Guiding the Drug Design of Rutaecarpine Derivatives as Potential SARS-CoV-2 Inhibitors

Lin,

Wang,

Tang

et al. 2024

Molecules

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COVID-19 continues to spread around the world. This is mainly because new variants of the SARS-CoV-2 virus emerge due to genomic mutations, evade the immune system and result in the effectiveness of current therapeutics being reduced. We previously established a series of detection platforms, comprising computational docking analysis, S-protein-based ELISA, pseudovirus entry, and 3CL protease activity assays, which allow us to screen a large library of phytochemicals from natural products and to determine their potential in blocking the entry of SARS-CoV-2. In this new screen, rutaecarpine (an alkaloid from Evodia rutaecarpa) was identified as exhibiting anti-SARS-CoV-2 activity. Therefore, we conducted multiple rounds of structure-activity-relationship (SAR) studies around this phytochemical and generated several rutaecarpine analogs that were subjected to in vitro evaluations. Among these derivatives, RU-75 and RU-184 displayed remarkable inhibitory activity when tested in the 3CL protease assay, S-protein-based ELISA, and pseudovirus entry assay (for both wild-type and omicron variants), and they attenuated the inflammatory response induced by SARS-CoV-2. Interestingly, RU-75 and RU-184 both appeared to be more potent than rutaecarpine itself, and this suggests that they might be considered as lead candidates for future pharmacological elaboration.

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Section: Resultsmentioning

confidence: 99%

“…RNA was then extracted, and the levels of TNF-α, IL-6, and IL-1β mRNA were measured by RT-PCR. The RNA extraction and RT-PCR protocol were previously described [ 18 ].…”

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Computational Docking as a Tool in Guiding the Drug Design of Rutaecarpine Derivatives as Potential SARS-CoV-2 Inhibitors

Lin,

Wang,

Tang

et al. 2024

Molecules

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Visible‐Light Induced Trifluoromethylation/Cyclization of Unactivated Alkene‐Bound Quinazolinones

Zou,

Zhao,

Wang

et al. 2024

Eur J Org Chem

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Herein, we reported a selective, mild method for the visible light‐photocatalyzed trifluoromethylation and cyclization of unactivated tethered alkenes to provide tri‐ and tetracyclic quinazolinones. Trifluoroacetic acid and anhydride are inexpensive and readily available reagents for the process which proceeds without the addition of a strong oxidant. Broad substrate scope and the formation of 5‐ and 6‐membered rings are demonstrated in 44‐82% yields. Control experiments provide the basis for a proposed mechanism involving photocatalyzed SET from fac‐Ir(ppy)3 to TFAA, and trifluoromethyl radical‐mediated regioselective cyclization. The practicality of the protocol was illustrated by a gram‐scale synthesis in 76% yield.

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The Role of Traditional Chinese Medicine and Chinese Pharmacopoeia in the Evaluation and Treatment of COVID-19

Gasmi,

Noor,

Dadar

et al. 2024

CPD

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The epidemic prompted by COVID-19 continues to spread, causing a great risk to the general population's safety and health. There are still no drugs capable of curing it. Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS) are the two other diseases caused by coronaviruses. Traditional Chinese Medicine (TCM) showed benefits in treating SARS and MERS by preventing the disease early, substantially mitigating symptoms, shortening the treatment period, and minimizing risks and adverse reactions caused by hormone therapy. Although several vaccines have been developed and are being used for the treatment of COVID-19, existing vaccines cannot provide complete protection against the virus due to the rapid evolution and mutation of the virus, as mutated viral epitopes evade the vaccine’s target and decrease the efficacy of vaccines. Thus, there is a need to develop alternative options. TCM has demonstrated positive effects in the treatment of COVID-19. Previous research studies on TCM showed broad-spectrum antiviral activity, offering a range of possibilities for their potential use against COVID-19. This study shed some light on common TCM used for SARS and MERS outbreaks and their effective use for COVID-19 management. This study provides new insights into COVID-19 drug discovery.

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The Ethanol Extract of Evodiae Fructus and Its Ingredient, Rutaecarpine, Inhibit Infection of SARS-CoV-2 and Inflammatory Responses

Cited by 3 publications

References 24 publications

Computational Docking as a Tool in Guiding the Drug Design of Rutaecarpine Derivatives as Potential SARS-CoV-2 Inhibitors

Computational Docking as a Tool in Guiding the Drug Design of Rutaecarpine Derivatives as Potential SARS-CoV-2 Inhibitors

Visible‐Light Induced Trifluoromethylation/Cyclization of Unactivated Alkene‐Bound Quinazolinones

The Role of Traditional Chinese Medicine and Chinese Pharmacopoeia in the Evaluation and Treatment of COVID-19

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