Subject(s)
Anti-Inflammatory Agents, Non-Steroidal/therapeutic use , COVID-19 Drug Treatment , COVID-19/physiopathology , Cysteine/analogs & derivatives , Drug Repositioning , Anti-Inflammatory Agents, Non-Steroidal/administration & dosage , Anti-Inflammatory Agents, Non-Steroidal/adverse effects , Arthritis, Rheumatoid/drug therapy , COVID-19/diagnosis , COVID-19/pathology , Clinical Trials, Phase III as Topic , Cysteine/administration & dosage , Cysteine/adverse effects , Cysteine/therapeutic use , Drug Industry/organization & administration , Gout/drug therapy , HumansABSTRACT
The outbreak of viral pneumonia caused by the novel coronavirus SARS-CoV-2 that began in December 2019 caused high mortality. It has been suggested that the main protease (Mpro) of SARS-CoV-2 may be an important target to discover pharmaceutical compounds for the therapy of this life-threatening disease. Remdesivir, ritonavir and chloroquine have all been reported to play a role in suppressing SARS-CoV-2. Here, we applied a molecular docking method to study the binding stability of these drugs with SARS-CoV-2 Mpro. It appeared that the ligand-protein binding stability of the alliin and SARS-CoV-2 Mpro complex was better than others. The results suggested that alliin may serve as a good candidate as an inhibitor of SARS-CoV-2 Mpro. Therefore, the present research may provide some meaningful guidance for the prevention and treatment of SARS-CoV-2.
Subject(s)
Antiviral Agents/pharmacology , Cysteine/analogs & derivatives , Viral Nonstructural Proteins/antagonists & inhibitors , Adenosine Monophosphate/analogs & derivatives , Adenosine Monophosphate/pharmacology , Alanine/analogs & derivatives , Alanine/pharmacology , Antimalarials/pharmacology , Betacoronavirus/enzymology , Chloroquine/pharmacology , Coronavirus 3C Proteases , Cysteine/pharmacology , Cysteine Endopeptidases , Molecular Docking Simulation , Ritonavir/pharmacology , SARS-CoV-2ABSTRACT
Coronavirus disease 2019 (COVID-19) is the current major health crisis in the world. A successful strategy to combat the COVID-19 pandemic is the improvement of nutritional pattern. Garlic is one of the most efficient natural antibiotics against the wide spectrum of viruses and bacteria. Organosulfur (e.g., allicin and alliin) and flavonoid (e.g., quercetin) compounds are responsible for immunomodulatory effects of this healthy spice. The viral replication process is accelerated with the main structural protease of SARS-CoV-2. The formation of hydrogen bonds between this serine-type protease and garlic bioactives in the active site regions inhibits the COVID-19 outbreak. The daily dietary intake of garlic and its derived-products as an adjuvant therapy may improve side effects and toxicity of the main therapeutic drugs with reducing the used dose.