Feasibility and Effective Binding Inhibitors against COVID-19 BA.2.86 - Abstract
The binding strength of COVID-19 variants, Omicron BQ.1, XBB.1.5, XBB 1.16, FE.1, EG.5, and BA.2.86, with the ACE-2, was calculated and evaluated with previous variants. The binding inhibition of various compounds (including PF07321332, Molnupiravir, and Xocova) was investigated. The binding strength of BA.2.86 with ACE-2 was similar to that of Delta, and the binding strength of the others was weak. Several medicines inhibited binding Delta S-RBD with ACE-2, but not that of BA.2.86. The basic amino acid R454 is buried in Delta S-RBD, but that of BA.2.86 is free for binding with ACE-2. The selectivity encourages the further designing of medicines. These medicines did not inhibit the binding of BA.2.86, but their malic acid complexes inhibited the binding. If these compounds inhibit the multiplication, their cocktails with TCA-cycle acids should effectively inhibit the binding.