PMC:7784829 / 1774-6043 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7784829","sourcedb":"PMC","sourceid":"7784829","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7784829","text":"Introduction\nCoronaviruses are enveloped positive-sense single stranded RNA viruses that belong to the family coronaviridae. They usually infect birds and mammals and cause mild respiratory diseases (Kahn \u0026 McIntosh, 2005). However, in the recent past, these viruses have caused lethal endemics such as Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS) endemics (Kahn \u0026 McIntosh, 2005). In December 2019, Wuhan city in China became the centre of a surge in cases of pneumonia by an unknown cause (Zhu et al., 2020). A novel corona virus, called SARS-CoV-2, was isolated from these pneumonia patients in January 2020 and the disease was called the Coronavirus disease 2019 (COVID-19) by the World Health Organization in February, 2020 (Gorbalenya et. al, 2020; Jiang et al., 2020; Who, 2020). Even though the epidemic may have started from a zoonotic transmission in a seafood market, that also sold wild animals, it became clear that this disease was transmitted from person to person (Li et al., 2020). The clinical characteristics of this disease are broad, constituting asymptomatic infections, mild respiratory disease, severe pneumonia with respiratory failure and even death (Chen et al., 2020; Huang et al., 2020; Wang et al., 2020). The COVID-19 pandemic poses a significant challenge to global public health (Phelan et al., 2020), appealing for the development of safe and successful prophylactics and therapies against infection of its causative agent, the SARS-CoV-2 virus.\nSARS-CoV-2 has a genome of ∼30 kilobases, which codes for multiple structural and non-structural proteins (Chan et al., 2020). The structural proteins, present on the surface of the mature virion, include the spike protein, the membrane protein, the envelope protein and the nucleocapsid protein (Chan et al., 2020). The Spike protein, of the beta coronaviruses SARS-CoV-2 and SARS-CoV, enables the attachment of the virus to the cells of the lower respiratory tract of humans to gain entry into the lung tissue (Hoffmann et al., 2020). Apart from attachment, the spike glycoprotein also appears to play a role in fusion and entry of the virus into the host (Chen et al., 2020; Hoffmann et al., 2020). The spike protein, of the novel coronavirus, utilizes the SARS-CoV receptor, ACE2 for entry (Chen et al., 2020) and is primed by the cellular protease, TMPRSS2 (Hoffmann et al., 2020). A serine protease inhibitor, which can act on TMPRSS2, has been shown to inhibit novel coronavirus entry (Hoffmann et al., 2020). Therefore, the spike protein of the novel coronavirus is a good drug target and identifying small molecules that bind to S protein would inhibit viral recognition of host cells and disrupt viral-host interactions.\nCurcumin, a naturally occurring phytochemical and principal component of Curcuma longa, has exhibited broad pharmacological properties including antioxidant, anti-inflammatory, anti-cancer and anti-viral effects (Khor et al., 2019; Kocaadam \u0026 Şanlier, 2017; Lal et al., 2016; Wiggers et al., 2017). Curcumin and its derivatives, due to its rich conventional medicinal interest, has undergone comprehensive in vitro and in vivo studies. It has, therefore, been associated with more than 100 cellular targets, including cytokines, proteins, transcription factors, and receptors. Previous studies have shown the potential of curcumin as a treatment against Influenza A virus infection, by an effect mediated by modulating immune response to prevent injury to the lung tissue (Han et al., 2018). Curcumin has also been shown to have anti neuraminidase (NA) activity for the influenza virus NA protein (Richart et al., 2018). Therefore, in the present study, curcumin and its derivatives were docked onto the spike protein of the SARS-CoV and the SARS-CoV-2 to predict the binding interactions.\nWe found that curcumin and few of its derivatives showed promising results to be potential spike protein inhibitors. One of the derivatives, bis-demethoxycurcumin, showed the best binding affinity to the spike protein of both the SARS-CoV and the novel corona virus, SARS-CoV-2. The possibility for few of the curcumin derivatives, that showed good binding affinity, could be tested for further therapeutic use against 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