PropertyValue
?:abstract
  • The 2019 coronavirus (COVID-19) pandemic is spreading worldwide, with a dramatic increase in death without any effective therapeutic treatment available up to now We previously reported quinazoline-trihydroxyphenyl Schiff base conjugates as phosphodiesterase 4B (PDE 4B) inhibitors (an enzyme that plays an essential role in the early stages of COVID-19 pneumonia) Additionally, the structural similarity between these conjugates and identified anti-severe acute respiratory syndrome (SARS)-coronavirus (CoV)-2 flavonoids inspired us toin silicostudy their possible binding interactions with essential SARS-CoV-2 proteins Thus, this study provides an insight into the potential bindings between quinazoline-Schiff base conjugates and SARS-CoV-2 proteins, including spike glycoprotein (SGp), main protease (M-pro) and RNA-dependent RNA polymerase (RdRp), to offer an opportunity to find an effective therapy Besides this, based on the role that COVID-19 plays in iron dysmetabolism, the conjugate trihydroxyphenyl moiety should be reconsidered as an iron chelator Moreover, molecular dynamics simulations of quinazoline derivativeIcbound to the mentioned targets were carried out Finally, ADMET calculations were performed for the studied compounds to predict their pharmacokinetic profiles
is ?:annotates of
?:creator
?:journal
  • Rsc_Advances
?:license
  • unk
?:publication_isRelatedTo_Disease
is ?:relation_isRelatedTo_publication of
?:source
  • WHO
?:title
  • Quinazoline-Schiff base conjugates:in silicostudy and ADMET predictions as multi-target inhibitors of coronavirus (SARS-CoV-2) proteins
?:type
?:who_covidence_id
  • #834922
?:year
  • 2020

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