Arzneimitteldesign: Offener Zugang
Offener Zugang

Abstrakt

Design of Effective Molecular Blocker of E Protein Channel as Anti SARS-Cov-2 Virus Drug

Yury N. Vorobjev

Design of a drug compound that can effectively bind to the E channel and block the diffusion of hydrogen (H⁺) and K⁺ ions through channel and inhibit virus life cycle and replication is an important task. A new class of positively charged, +2 e.u., molecules is proposed here to block proton diffusion trough the E channel. Several drug candidates, derivatives of a lead compound (diazabicyclooctane), were proposed and investigated drug binding energy and positions. E protein has in-channe l and out of channelbinding sites of high affinity for suggested molecular blockers. The most promising structure of E channel blocker is suggested.