(R)-(+)-Rosmarinic Acid as an Inhibitor of Herpes and Dengue Virus Replication: an In Silico Assessment

Samy, Christy Rani Arokia; Kalaimathi, K.; Sheshadhri, Jayasree; Rengarajan, Murugesan; Prabhu, S.; Cherian, Pinkie

doi:10.1007/s43450-023-00381-y

Cited by 7 publications

(2 citation statements)

References 27 publications

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“…In vitro experiments have indicated that ROSA can inhibit degradation of the extracellular matrix (ECM) in OA by suppressing the production of Interleukin (IL)-6 and reversing the IL-1b-induced suppression of proteoglycan aggrecan (ACAN) and type 2 collagen (COL2) gene expression (Hu et al, 2018). Additionally, several studies have demonstrated that ROSA exhibits antiviral activity against various viruses, including influenza virus A (Jheng et al, 2022), Hepatitis B virus (Tsukamoto et al, 2018), and Dengue Virus (Samy et al, 2023).…”

Section: Introductionmentioning

confidence: 99%

Unlocking the antiviral potential of rosmarinic acid against chikungunya virus via IL-17 signaling pathway

Liao,

Xin,

et al. 2024

Front. Cell. Infect. Microbiol.

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BackgroundThe Chikungunya virus is an Alphavirus that belongs to the Togaviridae family and is primarily transmitted by mosquitoes. It causes acute infection characterized by fever, headache, and arthralgia. Some patients also experience persistent chronic osteoarthritis-like symptoms. Dedicated antiviral treatments are currently unavailable for CHIKV. This study aims to explore the potential anti-CHIKV effect of rosmarinic acid using network pharmacology.MethodsThis study employed network pharmacology to predict and verify the molecular targets and pathways associated with ROSA in the context of CHIKV. The analysis outcomes were further validated using molecular docking and in vitro experiments.ResultsThe analysis of CHIKV targets using the Kyoto Encyclopedia of Genes and Genomes and MCODE identified IL-17 as an important pathogenic pathway in CHIKV infection. Among the 30 targets of ROSA against CHIKV, nearly half were found to be involved in the IL-17 signaling pathway. This suggests that ROSA may help the host in resisting CHIKV invasion by modulating this pathway. Molecular docking validation results showed that ROSA can stably bind to 10 core targets out of the 30 identified targets. In an in vitro CHIKV infection model developed using 293T cells, treatment with 60 μM ROSA significantly improved the survival rate of infected cells, inhibited 50% CHIKV proliferation after CHIKV infection, and reduced the expression of TNF-α in the IL-17 signaling pathway.ConclusionThis study provides the first confirmation of the efficacy of ROSA in suppressing CHIKV infection through the IL-17 signaling pathway. The findings warrant further investigation to facilitate the development of ROSA as a potential treatment for CHIKV infection.

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Section: Introductionmentioning

confidence: 99%

Unlocking the antiviral potential of rosmarinic acid against chikungunya virus via IL-17 signaling pathway

Liao,

Xin,

et al. 2024

Front. Cell. Infect. Microbiol.

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“…Curcumin, a polyphenolic compound found in turmeric, has strong anti-inflammatory and antioxidant properties and is being studied for its potential therapeutic use in improving brain function, reducing depression, and fighting inflammation [8,28,29]. Rosmarinic acid, a natural polyphenol found in plants, may have therapeutic potential for conditions like allergies, asthma, arthritis, cancer, and neurological disorders due to its antioxidant, anti-inflammatory, antimicrobial, and neuroprotective properties [33,34]. Caffeic acid, a hydroxycinnamic acid, is studied for its antioxidant, anti-inflammatory, and anticancer properties [35].…”

Section: Introductionmentioning

confidence: 99%

Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

Moschovou,

Antoniou,

Chontzopoulou

et al. 2023

IJMS

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In this in silico study, we conducted an in-depth exploration of the potential of natural products and antihypertensive molecules that could serve as inhibitors targeting the key proteins of the SARS-CoV-2 virus: the main protease (Mpro) and the spike (S) protein. By utilizing Induced Fit Docking (IFD), we assessed the binding affinities of the molecules under study to these crucial viral components. To further comprehend the stability and molecular interactions of the “protein-ligand” complexes that derived from docking studies, we performed molecular dynamics (MD) simulations, shedding light on the molecular basis of potential drug candidates for COVID-19 treatment. Moreover, we employed Molecular Mechanics Generalized Born Surface Area (MM-GBSA) calculations on all “protein-ligand” complexes, underscoring the robust binding capabilities of rosmarinic acid, curcumin, and quercetin against Mpro, and salvianolic acid b, rosmarinic acid, and quercetin toward the S protein. Furthermore, in order to expand our search for potent inhibitors, we conducted a structure similarity analysis, using the Enalos Suite, based on the molecules that indicated the most favored results in the in silico studies. The Enalos Suite generated 115 structurally similar compounds to salvianolic acid, rosmarinic acid, and quercetin. These compounds underwent IFD calculations, leading to the identification of two salvianolic acid analogues that exhibited strong binding to all the examined binding sites in both proteins, showcasing their potential as multi-target inhibitors. These findings introduce exciting possibilities for the development of novel therapeutic agents aiming to effectively disrupt the SARS-CoV-2 virus lifecycle.

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Inhibitory effect of Sinapic acid derivatives targeting structural and non-structural proteins of dengue virus serotype 2: An in-silico assessment

Roney,

Dubey,

Zamri

et al. 2023

Aspects of Molecular Medicine

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(R)-(+)-Rosmarinic Acid as an Inhibitor of Herpes and Dengue Virus Replication: an In Silico Assessment

Cited by 7 publications

References 27 publications

Unlocking the antiviral potential of rosmarinic acid against chikungunya virus via IL-17 signaling pathway

Unlocking the antiviral potential of rosmarinic acid against chikungunya virus via IL-17 signaling pathway

Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

Inhibitory effect of Sinapic acid derivatives targeting structural and non-structural proteins of dengue virus serotype 2: An in-silico assessment

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