In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity - Brown, Craig S.; Lee, Michael S.; Leung, Daisy W.; Wang, Tianjiao; Xu, Wei; Luthra, Priya; Anantpadma, Manu; Shabman, Reed S.; Melito, Lisa M.; MacMillan, Karen S.; Borek, Dominika M.; Otwinowski, Zbyszek; et al. (Journal of molecular biology, 2014)
Keywords: antiviral agents; Antiviral Agents - chemistry; Antiviral Agents - pharmacology; antivirals; Coenzymes - antagonists & inhibitors; Coenzymes - chemistry; Computer Simulation; Crystallography, X-Ray; DNA-Directed RNA Polymerases - antagonists & inhibitors; DNA-Directed RNA Polymerases - metabolism; Ebolavirus; Ebolavirus - drug effects; Ebolavirus - enzymology; enzyme activity; filoviral inhibitors; genome; in silico drug discovery; interferons; messenger RNA; Models, Molecular; mutation; nuclear magnetic resonance spectroscopy; Nuclear Magnetic Resonance, Biomolecular; nucleoproteins; pathogenesis; polypeptides; Protein Binding; Protein Interaction Domains and Motifs - physiology; protein-protein interactions; Pyrroles - chemistry; Pyrroles - metabolism; Pyrroles - pharmacology; RNA-directed RNA polymerase; screening; Small Molecule Libraries - chemistry; Small Molecule Libraries - pharmacology; Viral Regulatory and Accessory Proteins - antagonists & inhibitors; Viral Regulatory and Accessory Proteins - chemistry; virus replication; VP35; X-ray diffraction; filoviral inhibitors; antivirals; NP; EBOV; IID; DMSO; PPI; in silico drug discovery; PDB; IFN; GFP; VP35; MG; MARV; HSQC