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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  
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11th treatment shown to reduce risk in January 2021
*, now known with p = 0.00016 from 14 studies.
No treatment is 100% effective. Protocols combine complementary and synergistic treatments. * >10% efficacy in meta analysis with ≥3 clinical studies.
3,800+ studies for 60+ treatments.
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.
Ali et al., 31 Mar 2023, Pakistan, peer-reviewed, 8 authors. Contact:
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperNigella SativaAll
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.
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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
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