Therapeutic capability of five active compounds in typical African medicinal plants against main proteases of SARS-CoV-2 by computational approach

Peter, Abodunrin Oluwasayo; Onifade, Olayinka F.; Adeboyega, Abayomi Emmanuel

doi:10.1016/j.imu.2022.100964

Cited by 11 publications

(5 citation statements)

References 49 publications

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“…These compounds have been well reported and recognized for their antioxidant, anti-inflammatory and neuroprotective activities, which may therefore account for the observation in the animals exposed to BPA and treated with G. kola. Amongst all the constituents of G. kola, the most extensively studied is kolaviron, to such an extent that it is often perceived by many studies as being its active principle [54]. It (kolaviron) has on its own been reported to exert diverse biological effects including antioxidant, anti-inflammatory and antigenotoxic effects [55] [56].…”

Section: Discussionmentioning

confidence: 99%

Garcinia Kola and Kolaviron Attenuates Bisphenol A-Induced Memory Impairment and Hippocampal Neuroinflammation in Male Wistar Rats

Kayinu,

Adele,

Ige

2024

JBM

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Bisphenol A (BPA), a toxicant which can leach into food from plastic containers, is reported to induce neurotoxicity among others via oxidative mechanisms. However, antioxidant compounds have been suggested to mitigate BPA-induced toxicities. Garcinia kola (GK) and its bioactive compound, kolaviron, are well-established natural antioxidants, which can exert protective effects against BPA-induced toxicities. This study was designed to investigate the likely mitigating effect of GK and kolaviron on BPA-induced memory impairment and hippocampal neuroinflammation in male Wistar rats. Thirty-five rats were equally grouped and treated as follows: I and II received distilled water and corn oil, respectively at 0.2 mL, while III -VII received BPA (50 mg/kg), BPA + GK (200 mg/kg), BPA + kolaviron (200 mg/kg), GK and kolaviron, respectively for 28 days p.o. Thereafter, behavioral studies were done using the Novel Object Recognition and Y maze tests. Subsequently under anaesthesia, the hippocampus in each animal was dissected out, homogenized and analysed for malondialdehyde, superoxide dismutase, catalase, reduced glutathione, glutathione transferase, nitrites, interleukin-6, tumour necrosis factor-α, acetylcholinesterase, glutamate acid decarboxylase, and arginase activity. Data were analyzed by ANOVA and Tukey Post-hoc test at p < 0.05. Animals in group III significantly (p < 0.05) exhibited memory impairment which was accompanied by increased oxidative stress, neuroinflammation and altered hippocampal neurochemicals. Treatment with GK and Kolaviron (groups IV and V) significantly mitigated the aberrations observed in the BPA only exposure group. This study suggests that Garcinia kola and Kolaviron mitigate bisphenol A-induced memory impairment and neuroinflamma-How to cite this paper: Kayinu, N.A.,

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Section: Discussionmentioning

confidence: 99%

Garcinia Kola and Kolaviron Attenuates Bisphenol A-Induced Memory Impairment and Hippocampal Neuroinflammation in Male Wistar Rats

Kayinu,

Adele,

Ige

2024

JBM

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“…The site-specific molecular docking of the prepared nucleoside-based antiviral ligand molecules were performed against each of the two selected minimized receptor proteins using Glide module of Schrödinger suite (Glide, Schrödinger, LLC, NY, USA). In order to prepare the receptor grid that aids in locating the docking location for ligand binding, the Glide tool was used with its default settings, which include a partial charge cutoff of 0.25 and a van der Waals radius scaling factor of 1.0 [28]. The docking procedure was carried out using Glide's xtra precision (XP) mode and the OPLS3e force field.…”

Section: Protein-ligand Docking Using Glidementioning

confidence: 99%

In-silico investigation on the discovery of synthesized nucleoside-based antivirals against monkeypox and SARS-CoV-2 Virus

Balasubramaniyam,

Sreek,

Nathan

et al. 2024

Preprint

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The monkeypox virus and the SARS-CoV-2 virus serve as illustrative instances of agents that give rise to outbreaks. In the current study, we sought new broad-spectrum nucleoside-based antivirals that target viral particle attachment and target cell penetration. We used virtual molecular docking tools to assess the binding capability of the synthesized nucleoside-based medicines to the surface viral proteins and cell receptors. The results showed that the nucleoside-based antiviral drugs bounded well with the primary protease of SARS CoV-2 Mpro (PDB ID: 6LU7) and A42R Profilin-like protein of monkeypox virus (PDB ID: 4QWO). The interaction scores were observed to be of -7.82 kcal/mol by 8-amino G for 6LU7 and -7.95 kcal/mol by 8-Bromo A for 4QWO. The ligands tested were found to have high gastrointestinal absorption, with no blood-brain barrier permeability. The binding mode analysis revealed that most of the peptides that showed high interaction score were non-mutagenic but were found to be developmental toxicant. These compounds can be taken into consideration in the future for additional optimization and in-vitro experimental validation for the development of anti-susceptible drugs and vaccines.

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“…This would enhance the RAS and protect the lungs from injury [ 65 , 66 ]. In another study, among five major bioactive compounds of C. longa extracts curcumin had the highest binding affinity to SARS-CoV-2 main protease [ 67 ]. Based on in-silico studies, cyclocurcumin and curcumin extracted from turmeric’s rhizomes could significantly inhibit SARS-CoV-2 main protease enzyme, thus they may be efficient against COVID-19 [ 50 ].…”

Section: Curcuma Longa ( C Longa ...mentioning

confidence: 99%

Treating COVID-19 with Medicinal Plants: Is It Even Conceivable? A Comprehensive Review

Al-Jamal,

Idriss,

Roufayel

et al. 2024

Viruses

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In 2020, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) challenged the world with a global outbreak that led to millions of deaths worldwide. Coronavirus disease 2019 (COVID-19) is the symptomatic manifestation of this virus, which can range from flu-like symptoms to utter clinical complications and even death. Since there was no clear medicine that could tackle this infection or lower its complications with minimal adverse effects on the patients’ health, the world health organization (WHO) developed awareness programs to lower the infection rate and limit the fast spread of this virus. Although vaccines have been developed as preventative tools, people still prefer going back to traditional herbal medicine, which provides remarkable health benefits that can either prevent the viral infection or limit the progression of severe symptoms through different mechanistic pathways with relatively insignificant side effects. This comprehensive review provides scientific evidence elucidating the effect of 10 different plants against SARS-CoV-2, paving the way for further studies to reconsider plant-based extracts, rich in bioactive compounds, into more advanced clinical assessments in order to identify their impact on patients suffering from COVID-19.

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Therapeutic capability of five active compounds in typical African medicinal plants against main proteases of SARS-CoV-2 by computational approach

Cited by 11 publications

References 49 publications

Garcinia Kola and Kolaviron Attenuates Bisphenol A-Induced Memory Impairment and Hippocampal Neuroinflammation in Male Wistar Rats

Garcinia Kola and Kolaviron Attenuates Bisphenol A-Induced Memory Impairment and Hippocampal Neuroinflammation in Male Wistar Rats

In-silico investigation on the discovery of synthesized nucleoside-based antivirals against monkeypox and SARS-CoV-2 Virus

Treating COVID-19 with Medicinal Plants: Is It Even Conceivable? A Comprehensive Review

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