Unveiling of Pyrimidindinones as Potential Anti-Norovirus Agents—A Pharmacoinformatic-Based Approach

The RNA-dependent RNA polymerase (RdRp) receptor is an attractive target for treating human norovirus (HNV). A computer-aided approach like e-pharmacophore, molecular docking, and single point energy calculations were performed on the compounds retrieved from the Development Therapeutics Program (DT...

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Vydáno v:	Molecules (Basel, Switzerland) Ročník 27; číslo 2; s. 380
Hlavní autoři:	Ebenezer, Oluwakemi, Damoyi, Nkululeko, Jordaan, Maryam A., Shapi, Michael
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Switzerland MDPI AG 07.01.2022 MDPI
Témata:	Antiviral Agents - chemistry Antiviral Agents - pharmacology Antiviral drugs Binding sites Cell culture Clinical trials Enzymes Genomes human norovirus Humans Hydrogen Bonding Infections Ligands Molecular Docking Simulation molecular dynamic Molecular Dynamics Simulation multiple docking Norovirus Norovirus - drug effects Protein Binding Proteins Pyrimidines - chemistry Pyrimidines - pharmacology RNA polymerase RNA-Dependent RNA Polymerase - antagonists & inhibitors RNA-Dependent RNA Polymerase - chemistry RNA-Dependent RNA Polymerase - metabolism Software Toxicity virtual screening Viruses United States > US multiple docking human norovirus virtual screening molecular dynamic
ISSN:	1420-3049, 1420-3049
On-line přístup:	Získat plný text
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