Computational methods in the analysis of SARS-CoV-2 in mammals: : A systematic review of the literature
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Design of Multi-Epitope Vaccine against SARS-CoV-2
Special Issue on New Developments in Scalable ComputingAbstractThe ongoing COVID-19 pandemic requires urgently specific therapeutics and approved vaccines. Here, the four structural proteins of the Severe Acute Respiratory Syndrome CoronaVirus 2 (SARS-CoV-2), the causative agent of COVID-19, are screened by ...
Multi-omics-based identification of SARS-CoV-2 infection biology and candidate drugs against COVID-19
AbstractSARS-CoV-2 has ushered a global pandemic with no effective drug being available at present. Although several FDA-approved drugs are currently under clinical trials for drug repositioning, there is an on-going global effort for new drug ...
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Highlights- SARS-CoV-2 shares Influenza, EBV, HTLV-I, Measles, and Hepatitis virus infection pathways.
- SARS-CoV-2 also shares Tuberculosis, Malaria, and Leishmaniasis infection pathways.
- mRNA splicing, cytokine and IFN signaling, and ubiquitin ...
SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations
AbstractThe main (Mpro) and papain-like (PLpro) proteases are highly conserved viral proteins essential for replication of the COVID-19 virus, SARS-COV-2. Therefore, a logical plan for producing new drugs against this pathogen is to discover inhibitors ...
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Highlights- Pyrazolopyridazines found in silico as new class of potential Mpro/PLpro inhibitors.
- Docking and MD indicate stable binding of lead compounds to catalytic active sites.
- Docking and MD show stable binding of 3 compounds to Mpro ...
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Pergamon Press, Inc.
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