A Computational and Literature-Based Evaluation for a Combination of Chiral Anti-CoV Drugs to Block and Eliminate SARS-CoV-2 Safely
2020-07-01T11:20:50Z (GMT) by
It has been a great challenge for the scientists to develop an anti-covid drug/vaccine with fewer side effects, since the coronavirus began. Besides, the mechanism of action and the reason of causing side effects, has also become a great challenge for the scientists in the case of chiral drugs. The main reason behind it, is the prescription of chiral drugs in the racemic form. Another hurdle in front of the world, is the positive test of the patient recovered from coronavirus. This
positive test of recovered person, shows the demand of such drugs whose mechanism is understandable, and which can block and eliminate SARS-CoV-2 or its material from the body completely, with fewer side effects. The presented computational study explains (i) the mechanism of action of drugs (chloroquine and hydroxychloroquine) that block SARS-CoV-2 (ii) the strength of mefloquine that may eliminate SARS-CoV-2. First, the binding affinities of main protease (Mpro) of JC virus for which mefloquine has already shown its strength to remove, were calculated. After that, same method was applied for SARS-CoV-2, and both the results were compared to know the strength of mefloquine against SARS-CoV-2. Till now, the experimental data found in the literature survey, was neither used in the interpretation nor evaluated computationally, in such a way, as I did for the first time to fight against the pandemic
situation. Hence, the current study includes the docking results and literature data for the prescription of a combination of only biologically active enantiomers to the patient fighting with coronavirus, with less side effect. Two enantiomers that could do it, are S-(+)hydroxychloroquine
and (+) mefloquine. Of course, one of these two drugs, will block the coronavirus, while another one will eliminate it.