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.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
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 . The virus was rst identi ed in Wuhan, China in late 2019 and has since spread globally, leading to widespread illness and death . Coronaviruses are responsible for a range of diseases, including respiratory, digestive, enteric, and neurological disorders . The highly transmissible nature of the virus has resulted in its spread to 216 countries worldwide . 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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