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Travel Med Infect Dis ; 35: 101646, 2020.
Article in English | MEDLINE | ID: covidwho-47222

ABSTRACT

BACKGROUND: The COVID-19 has now been declared a global pandemic by the World Health Organization. There is an emergent need to search for possible medications. METHOD: Utilization of the available sequence information, homology modeling, and in slico docking a number of available medications might prove to be effective in inhibiting the SARS-CoV-2 two main drug targets, the spike glycoprotein, and the 3CL protease. RESULTS: Several compounds were determined from the in silico docking models that might prove to be effective inhibitors for SARS-CoV-2. Several antiviral medications: Zanamivir, Indinavir, Saquinavir, and Remdesivir show potential as and 3CLPRO main proteinase inhibitors and as a treatment for COVID-19. CONCLUSION: Zanamivir, Indinavir, Saquinavir, and Remdesivir are among the exciting hits on the 3CLPRO main proteinase. It is also exciting to uncover that Flavin Adenine Dinucleotide (FAD) Adeflavin, B2 deficiency medicine, and Coenzyme A, a coenzyme, may also be potentially used for the treatment of SARS-CoV-2 infections. The use of these off-label medications may be beneficial in the treatment of the COVID-19.


Subject(s)
Betacoronavirus/chemistry , Coronavirus Infections/virology , Cysteine Endopeptidases/chemistry , Drug Discovery/methods , Pneumonia, Viral/virology , Spike Glycoprotein, Coronavirus/chemistry , Viral Nonstructural Proteins/chemistry , Adenosine Monophosphate/analogs & derivatives , Adenosine Monophosphate/chemistry , Adenosine Monophosphate/therapeutic use , Alanine/analogs & derivatives , Alanine/chemistry , Alanine/therapeutic use , Binding Sites , COVID-19 , Coronavirus 3C Proteases , Coronavirus Infections/drug therapy , HIV Protease Inhibitors/chemistry , HIV Protease Inhibitors/therapeutic use , Humans , Indinavir/chemistry , Indinavir/therapeutic use , Molecular Docking Simulation , Off-Label Use , Pandemics , Pneumonia, Viral/drug therapy , SARS-CoV-2 , Saquinavir/chemistry , Saquinavir/therapeutic use , Spike Glycoprotein, Coronavirus/antagonists & inhibitors , Structural Homology, Protein , Viral Nonstructural Proteins/antagonists & inhibitors , Zanamivir/chemistry , Zanamivir/therapeutic use , COVID-19 Drug Treatment
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