We report the results of computational modeling of the reactions of the SARS-CoV-2 main
protease (MPro) with four potential covalent inhibitors. Two of them, carmofur and …

The 3-chymotrypsin-like protease (3CL-PR; also known as Main protease) of SARS-CoV-2
is a cysteine protease that is the target of the COVID-19 drug, Paxlovid. Here, we report for …

The use of computer simulation methods has become an indispensable component in
identifying drugs against the SARS-CoV-2 coronavirus. There is a huge body of literature on …

In the SARS-CoV-2 lifecycle, papain-like protease PLpro cuts off the non-structural proteins
nsp1, nsp2, and nsp3 from a large polyprotein. This is the earliest viral enzymatic activity …

We investigate the inhibition mechanism between pomotrelvir and the SARS‐CoV‐2 main
protease using molecular mechanics and quantum mechanics/molecular mechanics …

Despite the long history of use and the knowledge of the genetics and biochemistry of E.
coli, problems are still possible in obtaining a soluble form of recombinant proteins in this …

During the first years of COVID‐19 pandemic, X‐ray structures of the coronavirus drug
targets were acquired at an unprecedented rate, giving hundreds of PDB depositions in less …

106While metal complexes have been playing an important role in medicinal inorganic
chemistry for the development of novel anticancer agents, their application as antiviral …

Современная коронавирусная болезнь COVID-19, вызываемая вирусом SARS-CoV-2,
характеризуется высокой контагиозностью и тяжелым течением. Оказание помощи …

Население Земли за последние столетия стремительно выросло, достигнув без
малого 8 млрд человек. Во многом это произошло благодаря успехам медицины, в …