Ursolic acid: A novel antiviral compound inhibiting rotavirus infection in vitro

Tohmé, María Julieta; Giménez, M. Cecilia; Peralta, Andrea; Colombo, Marina; Delgui, Laura Ruth

doi:10.1016/j.ijantimicag.2019.07.015

Cited by 67 publications

(40 citation statements)

References 33 publications

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“…A combination of withanone and caffeic acid phenethyl ester [76] or withanoside-V [77] has also been predicted to inhibit SARS-CoV-2 activity by interacting with its main protease (M pro ). Anti-viral properties of ursolic acid [78] and betulinic acid [79] have been reported, with ursolic acid also inhibiting M pro under in silico conditions [80]. Anti-inflammatory effect of rosmarinic acid has been credited with a reduction of acute lung injury in mice infected with the influenza virus [81].…”

Section: Discussionmentioning

confidence: 99%

Application of Humanized Zebrafish Model in the Suppression of SARS-CoV-2 Spike Protein Induced Pathology by Tri-Herbal Medicine Coronil via Cytokine Modulation

et al. 2020

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Zebrafish has been a reliable model system for studying human viral pathologies. SARS-CoV-2 viral infection has become a global chaos, affecting millions of people. There is an urgent need to contain the pandemic and develop reliable therapies. We report the use of a humanized zebrafish model, xeno-transplanted with human lung epithelial cells, A549, for studying the protective effects of a tri-herbal medicine Coronil. At human relevant doses of 12 and 58 µg/kg, Coronil inhibited SARS-CoV-2 spike protein, induced humanized zebrafish mortality, and rescued from behavioral fever. Morphological and cellular abnormalities along with granulocyte and macrophage accumulation in the swim bladder were restored to normal. Skin hemorrhage, renal cell degeneration, and necrosis were also significantly attenuated by Coronil treatment. Ultra-high-performance liquid chromatography (UHPLC) analysis identified ursolic acid, betulinic acid, withanone, withaferine A, withanoside IV–V, cordifolioside A, magnoflorine, rosmarinic acid, and palmatine as phyto-metabolites present in Coronil. In A549 cells, Coronil attenuated the IL-1β induced IL-6 and TNF-α cytokine secretions, and decreased TNF-α induced NF-κB/AP-1 transcriptional activity. Taken together, we show the disease modifying immunomodulatory properties of Coronil, at human equivalent doses, in rescuing the pathological features induced by the SARS-CoV-2 spike protein, suggesting its potential use in SARS-CoV-2 infectivity.

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Section: Discussionmentioning

confidence: 99%

Application of Humanized Zebrafish Model in the Suppression of SARS-CoV-2 Spike Protein Induced Pathology by Tri-Herbal Medicine Coronil via Cytokine Modulation

et al. 2020

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“…Both molecules enrich various therapeutic properties such as antibacterial, antiviral, anticancer, antioxidant and tantimycotic activity (Jesus et al, 2015). Previous in vitro studies reported that these molecules exhibit antiviral activity against rotavirus, HIV, the influenza virus, hepatitis B and C viruses (Jesus et al, 2015;Khwaza et al, 2018;Tohm e et al, 2019).…”

Section: Introductionmentioning

confidence: 99%

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

Kumar

Choudhir

Shukla

et al. 2020

Journal of Biomolecular Structure and Dynamics

163

111

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Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the nations with high mortality rate even as very little is known to contain the virus at present. In the current study, we report novel natural metabolites namely, ursolic acid, carvacrol and oleanolic acid as the potential inhibitors against main protease (M pro) of COVID-19 by using integrated molecular modeling approaches. From a combination of molecular docking and molecular dynamic (MD) simulations, we found three ligands bound to protease during 50 ns of MD simulations. Furthermore, the molecular mechanic/generalized/ Born/Poisson-Boltzmann surface area (MM/G/P/BSA) free energy calculations showed that these chemical molecules have stable and favourable energies causing strong binding with binding site of M pro protein. All these three molecules, namely, ursolic acid, carvacrol and oleanolic acid, have passed the ADME (Absorption, Distribution, Metabolism, and Excretion) property as well as Lipinski's rule of five. The study provides a basic foundation and suggests that the three phytochemicals, viz. ursolic acid, carvacrol and oleanolic acid could serve as potential inhibitors in regulating the M pro protein's function and controlling viral replication.

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“…results. From a biological point of view, reported phytochemicals, carvacrol, oleanolic acid and ursolic acid which are proposed as potential inhibitors of the M pro having a signi cant antiviral activity with evident to bibliographical research and performed in-vitro studies(Gilling et al, 2014;Jesus et al, 2015;Khwaza et al, 2018;Kamalabadi et al, 2018;Tohmé et al, 2019;Marinelli et al, 2019).…”

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confidence: 99%

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

Kumar

Choudhir

Shukla

et al. 2020

Preprint

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Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the nations with high mortality rate even as very little is known to contain the virus at present. In the current study, we report novel natural metabolites namely, ursolic acid, carvacrol and oleanolic acid as the potential inhibitors against main protease (Mpro) of COVID-19 by using integrated molecular modeling approaches. From a combination of molecular docking and molecular dynamic (MD) simulations, we found three ligands bound to protease during 50 ns of MD simulations. Furthermore, the molecular mechanic/generalized/Born/Poisson-Boltzmann surface area (MM/G/P/BSA) free energy calculations showed that these chemical molecules have stable and favourable energies causing strong binding with binding site of Mpro protein. All these three molecules, namely, ursolic acid, carvacrol and oleanolic acid, have passed the ADME (Absorption, Distribution, Metabolism, and Excretion) property as well as Lipinski’s rule of five. The study provides a basic foundation and suggests that the three phytochemicals, viz. ursolic acid, carvacrol and oleanolic acid could serve as potential inhibitors in regulating the Mpro protein's function and controlling viral replication.

show abstract

Ursolic acid: A novel antiviral compound inhibiting rotavirus infection in vitro

Cited by 67 publications

References 33 publications

Application of Humanized Zebrafish Model in the Suppression of SARS-CoV-2 Spike Protein Induced Pathology by Tri-Herbal Medicine Coronil via Cytokine Modulation

Application of Humanized Zebrafish Model in the Suppression of SARS-CoV-2 Spike Protein Induced Pathology by Tri-Herbal Medicine Coronil via Cytokine Modulation

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

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