ड्रग डिजाइनिंग: ओपन एक्सेस
खुला एक्सेस

अमूर्त

Molecular Docking of Carrageenans for Main Protease (Mpro) and Angiotensin-Converting Enzyme 2 (ACE2) of SAR-COV-2

COVID-19; Carrageenan; Binding affinity; ACE2; Mpro

The World Health Organization (WHO) has classified COVID-19 as a pandemic infection due to the global spread of new corona virus infections. Due to this virus infection, millions of people all around the world had to die or endure severe disease. To prepare for a comparable viral pandemic in the future, it will be imperative to discover new therapeutic treatments. Carrageenans have apparently been effective against 12 viruses, including SAR-COV-2. In this investigation, Main Protease (Mpro) and Angiotensin-Converting Enzyme 2 (ACE2) were used as molecular targets for virtual screening of kappa-, lambda-, and iota- carrageenans. When compared to antiviral drugs, the results show that all three carrageenans have substantial binding affinity for ACE2 and Mpro. The binding affinity of iota-carrageenan is greater than that of other compounds. The binding affinity suggests that carrageenans could be utilized to produce potent antiviral drugs.