Molecular Docking Studies of Curcumin Analogues against SARS-CoV-2 Spike Protein

Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) is the etiologic agent of current pandemic corona virus disease 2019 (COVID-19) that has inflicted loss thousands lives worldwide. The coronavirus surface spike (S) glycoprotein a class I fusion with S1 domain which attached to human angiotensin converting enzyme (ACE2) receptor, and S2 enables host cell membrane internalization virus. Curcumin been suggested as potential drug control inflammation inhibitor S protein, but its therapeutic effects are hampered by poor bioavailability. We performed molecular docking dynamic study using 94 curcumin analogues designed have improved metabolic stability against SARS-CoV-2 protein compared their affinity other inhibitors. analysis main target these compounds compound 2606 displayed higher binding (-9.6 kcal mol-1) than (-6.8 Food Drug Administration (FDA) approved hydroxychloroquine (-6.3 mol-1). Further additional validation in vitro vivo may provide insights into development prevents entry cells.