All Studies Meta Analysis Recent:

Computational Prediction of Nigella sativa Compounds as Potential Drug Agents for Targeting Spike Protein of SARS-CoV-2

Ali et al., Pakistan BioMedical Journal, doi:10.54393/pbmj.v6i3.853

Mar 2023

Post
Facebook

Source PDF All Studies Meta AnalysisMeta

Nigella Sativa

11th treatment shown to reduce risk in January 2021

^*, now known with p = 0.00016 from 14 studies.

Lower risk for ventilation, hospitalization, recovery, cases, and viral clearance.

No treatment is 100% effective. Protocols combine complementary and synergistic treatments. ^* >10% efficacy in meta analysis with ≥3 clinical studies.

4,100+ studies for 60+ treatments. c19early.org

In Silico study identifying multiple compounds from nigella sativa as inhibitors of SARS-CoV-2. Methyl stearate showed the lowest binding energy and formed a stable complex with the spike protein.

18 preclinical studies support the efficacy of nigella sativa for COVID-19:

13 In Silico studies Ali, Alkafaas, Banerjee, Bouchentouf, Duru, Esharkawy, Hardianto, Khan, Maiti, Mir, Miraz, Rizvi, Sherwani

4 In Vitro studies Bostancıklıoğlu, Esharkawy, Maen, Sherwani

1 In Vivo animal study Maiti

Important missing comments or errors? Let us know.

1. Ali et al., Computational Prediction of Nigella sativa Compounds as Potential Drug Agents for Targeting Spike Protein of SARS-CoV-2, Pakistan BioMedical Journal, doi:10.54393/pbmj.v6i3.853.pakistanbmj.com, doi.org.

2. Alkafaas et al., A study on the effect of natural products against the transmission of B.1.1.529 Omicron, Virology Journal, doi:10.1186/s12985-023-02160-6.biomedcentral.com, doi.org.

3. Banerjee et al., Nigellidine (Nigella sativa, black-cumin seed) docking to SARS CoV-2 nsp3 and host inflammatory proteins may inhibit viral replication/transcription, Natural Product Research, doi:10.1080/14786419.2021.2018430.tandfonline.com, doi.org.

4. Bostancıklıoğlu et al., Nigella sativa, Anthemis hyaline and Citrus sinensis extracts reduce SARS-CoV-2 replication by fluctuating Rho GTPase, PI3K-AKT, and MAPK/ERK pathways in HeLa-CEACAM1a cells, Gene, doi:10.1016/j.gene.2024.148366.sciencedirect.com, doi.org.

5. Bouchentouf et al., Identification of Compounds from Nigella Sativa as New Potential Inhibitors of 2019 Novel Coronasvirus (Covid-19): Molecular Docking Study, ChemRxiv, doi:10.26434/chemrxiv.12055716.v1.chemrxiv.org, doi.org.

6. Duru et al., In silico identification of compounds from Nigella sativa seed oil as potential inhibitors of SARS-CoV-2 targets, Bulletin of the National Research Centre, doi:10.1186/s42269-021-00517-x.springer.com, doi.org.

7. Esharkawy et al., In vitro Potential Antiviral SARS-CoV-19- Activity of Natural Product Thymohydroquinone and Dithymoquinone from Nigela sativia, Bioorganic Chemistry, doi:10.1016/j.bioorg.2021.105587.sciencedirect.com, doi.org.

8. Hardianto et al., Exploring the Potency of Nigella sativa Seed in Inhibiting SARS-CoV-2 Main Protease Using Molecular Docking and Molecular Dynamics Simulations, Indonesian Journal of Chemistry, doi:10.22146/ijc.65951.ac.id, doi.org.

9. Khan et al., Inhibitory effect of thymoquinone from Nigella sativa against SARS-CoV-2 main protease. An in-silico study, Brazilian Journal of Biology, doi:10.1590/1519-6984.25066.scielo.br, doi.org.

10. Maen et al., Individual ingredients of NP-101 (Thymoquinone formula) inhibit SARS-CoV-2 pseudovirus infection, Frontiers in Pharmacology, doi:10.3389/fphar.2024.1291212.frontiersin.org, doi.org.

11. Maiti et al., Active-site Molecular docking of Nigellidine to nucleocapsid/Nsp2/Nsp3/MPro of COVID-19 and to human IL1R and TNFR1/2 may stop viral-growth/cytokine-flood, and the drug source Nigella sativa (black cumin) seeds show potent antioxidant role in experimental rats, Research Square, doi:10.21203/rs.3.rs-26464/v1.researchsquare.com, doi.org.

12. Mir et al., Identification of SARS-CoV-2 RNA-dependent RNA polymerase inhibitors from the major phytochemicals of Nigella sativa: An in silico approach, Saudi Journal of Biological Sciences, doi:10.1016/j.sjbs.2021.09.002.sciencedirect.com, doi.org.

13. Miraz et al., Nigelladine A among Selected Compounds from Nigella sativa Exhibits Propitious Interaction with Omicron Variant of SARS-CoV-2: An In Silico Study, International Journal of Clinical Practice, doi:10.1155/2023/9917306.hindawi.com, doi.org.

14. Rizvi et al., Identifying the Most Potent Dual-Targeting Compound(s) against 3CLprotease and NSP15exonuclease of SARS-CoV-2 from Nigella sativa: Virtual Screening via Physicochemical Properties, Docking and Dynamic Simulation Analysis, Processes, doi:10.3390/pr9101814.mdpi.com, doi.org.

15. Sherwani et al., Pharmacological Profile of Nigella sativa Seeds in Combating COVID-19 through In-Vitro and Molecular Docking Studies, Processes, doi:10.3390/pr10071346.mdpi.com, doi.org.

Ali et al., 31 Mar 2023, Pakistan, peer-reviewed, 8 authors. Contact: rashid.saif37@gmail.com.

In Silico studies are an important part of preclinical research, however results may be very different in vivo.

This Paper Nigella Sativa All

AI generated summary. Current AI models can provide useful summaries for non-experts, but may be inaccurate and have limited ability to analyze larger context such as the entire evidence base for nigella sativa.

Multiple compounds in Nigella sativa were identified that have high binding affinity to the spike protein of SARS-CoV-2 and are promising candidates for the development of new COVID-19 treatments.

COVID-19 is a respiratory illness caused by the novel coronavirus SARS-CoV-2.
The spike protein of SARS-CoV-2 is essential for the virus to attach to and enter host cells.
Nigella sativa (black seed) is a plant that has been used in traditional medicine for centuries.
The authors of this study used in silico methods to screen N. sativa for compounds that could inhibit the spike protein of SARS-CoV-2.
They identified several compounds that had high binding affinity to the spike protein and could potentially inhibit its function.
These compounds were then compared to clinically approved drugs for COVID-19, and they found that some of the N. sativa compounds had similar or even greater binding affinity than the approved drugs.
The authors concluded that N. sativa could be a potential source of new drugs for the treatment of COVID-19.

The authors of this study provide promising evidence that N. sativa could be a source of new drugs for the treatment of COVID-19.

Computational Prediction of Nigella sativa Compounds as Potential Drug Agents for Targeting Spike Protein of SARS-CoV-2

Laraib Ali, Rashid Saif, Muhammad Hassan Raza, Muhammad Osama Zafar, Saeeda Zia, Mehwish Shafiq, Tuba Ahmad, Iram Anjum

Pakistan BioMedical Journal, doi:10.54393/pbmj.v6i3.853

COVID-19 pandemic is caused by the novel coronavirus SARS-CoV-2, which is a member of the Coronaviridae family in the Nidovirales order [1]. The virus was rst identi ed in Wuhan, China in late 2019 and has since spread globally, leading to widespread illness and death [2]. Coronaviruses are responsible for a range of diseases, including respiratory, digestive, enteric, and neurological disorders [3]. The highly transmissible nature of the virus has resulted in its spread to 216 countries worldwide [4]. As of the latest reported gures, there have been 759,408,703 con rmed cases of 866,434 deaths

C o n  i c t s o f I n t e r e s t The authors declare no con ict of interest. S o u r c e o f F u n d i n g The authors received no nancial support for the research, authorship and/or publication of this article.

References

Coutard, Valle, De Lamballerie, Canard, Seidah et al., The spike glycoprotein of the new coronavirus 2019-nCoV contains a furin-like cleavage site absent in CoV of the same clade, Antiviral

Cvetković, Nikolić, Nenadić, Öcal, Noji et al., Preparedness and preventive behaviors for a pandemic disaster caused by COVID-19 in Serbia, International Journal of Environmental Research and Public Health, doi:10.3390/erph17114124

Dias, De Azevedo, Molecular docking algorithms, Currents Drug Targets, doi:10.26434/chemrxiv.12055716

E F E R E N C E S Gorbalenya, Baker, Baric, De Groot, Drosten et al., The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2, Nature Microbiology, doi:10.1038/s41564-020-0695-z

Kamble, Daulatabad, John, John, Synopsis of symptoms of COVID-19 during second wave of the pandemic in India, Hormone Molecular Biology and Clinical Investigation, doi:10.1515/hmbci-2021-0043

Ng, Li, Chua, Chaw, Zhao et al., Evaluation of the effectiveness of surveillance and containment measures for the rst 100 patients with COVID-19 in Singapore-January 2-February 29, Morbidity and Mortality Weekly Report, doi:10.15585/mmwr.mm6911e1

Yin, Li, Ye, Ruan, Liang et al., Molecular docking and dynamic simulation of Olea europaea and Curcuma Longa compounds as potential drug agents for targeting Main-Protease of SARS-nCoV2, doi:10.1016/j.csbj.2022.01

Download Image

Please send us corrections, updates, or comments. c19early involves the extraction of 100,000+ datapoints from thousands of papers. Community updates help ensure high accuracy. Treatments and other interventions are complementary. All practical, effective, and safe means should be used based on risk/benefit analysis. No treatment or intervention is 100% available and effective for all current and future variants. We do not provide medical advice. Before taking any medication, consult a qualified physician who can provide personalized advice and details of risks and benefits based on your medical history and situation. FLCCC and WCH provide treatment protocols.

Submit

Post

@CovidAnalysis

FAQ

Public domain CC0 1.0