A Computational and Literature-Based Evaluation for a Combination of Chiral Anti-CoV Drugs to Block and Eliminate SARS-CoV-2 Safely

Abstract

<jats:p>&lt;div&gt;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&lt;/div&gt;&lt;div&gt;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&lt;/div&gt;&lt;div&gt;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&lt;/div&gt;&lt;div&gt;and (+) mefloquine. Of course, one of these two drugs, will block the coronavirus, while another one will eliminate it.&lt;/div&gt;</jats:p>

A theoretical density functional theory calculation-based analysis of conformers of p-xylene

“…The simulation study is very helpful in understanding the reaction mechanism [25][26][27][28], separation science [10,[29][30][31][32], and the existence of conformers [33]. The presented study involved three important steps.…”

Chiral metallic anticancer drugs: A brief-review

“…Hence, the human body environment is chiral due to which stereoselective binding of different enantiomers of chiral drugs takes place differently. Approximately 80% of the drugs available on the market are chiral in nature [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26]. Therefore, enantiomeric forms of a chiral drug show differences in pharmacology, metabolism, pharmacokinetics and toxicology, etc.…”