fluoro n  (MedChemExpress)

Journal: ACS Infectious Diseases

Article Title: Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses

doi: 10.1021/acsinfecdis.1c00631

Figure Lengend Snippet: PLpro interactions with series I and II naphthalene-based inhibitors. Western naphthyl groups are highlighted in yellow, eastern arene groups are highlighted in teal, and core linker groups are highlighted in pink. (A) Key hydrophobic and hydrogen bonding interactions of series I inhibitor GRL0617 . (B) Key hydrophobic and hydrogen bonding interactions of the series II initial hit 6577871 .

Article Snippet: 5-Amino-2-methyl-N-[( R )-1-(1-naphthyl)ethyl]benzamide ( GRL0617 ) was purchased from Raystar, CN; 5-(acetylamino)-2-methyl- N -[(1 R )-1-(1-napthanlenyl)ethyl]-benzamide (compound 6) was purchased from MedChem Express; Z-RLRGG-7-amino-4-methyl-courmarin (peptide-AMC) was purchased from Bachem; Ub-AMC was purchased from Boston Biochem; human ISG15-AMC was purchased from Boston Biochem; Lys6, Lys11, Lys29, Lys33, Lys48, Lys63, and linear linked di-Ub were obtained from Boston Biochem; DL-dithiothroitol (DTT) was purchased from GoldBio; Isopropyl β-D-thiogalactopyranoside (IPTG) was purchased from GoldBio; 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) was purchased from Fisher BioReagents; imidazole was purchased from Acros Organics; tris(hydroxymethyl)aminomethane (Tris) was purchased from Fisher Scientific; sodium chloride (NaCl) was purchased from Fisher Chemical; bovine serum albumin (BSA) was purchased from Sigma Life Science; dehydrated Luria–Bertani (LB) broth was purchased from Fisher Scientific; ampicillin was purchased from GoldBio.

Techniques: Western Blot

Journal: ACS Infectious Diseases

Article Title: Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses

doi: 10.1021/acsinfecdis.1c00631

Figure Lengend Snippet: Inhibitor-binding pocket of three subgroup 2b viruses. (A) F o – F c electron density composite omit map is shown contoured at 3σ (green mesh). With GRL0617 shown in purple and BtSCoV-Rf1 PLpro shown in green. (B) GRL0617 (purple) bound to BtSCoV-Rf1 PLpro (green cartoon) overlaid with SARS-CoV-2 (white surface and cartoon) showing a possible path to active site for future inhibitors. (C) Stereoview overlay of GRL0617 bound to three different SARS-CoV PLpros: BtSCoV-Rf1 (green and purple) (PDB 7SKQ), SARS-CoV-1 (pink and orange) (PDB 3E9S), and SARS-CoV-2 (blue and yellow) (PDB 7JIR).

Article Snippet: 5-Amino-2-methyl-N-[( R )-1-(1-naphthyl)ethyl]benzamide ( GRL0617 ) was purchased from Raystar, CN; 5-(acetylamino)-2-methyl- N -[(1 R )-1-(1-napthanlenyl)ethyl]-benzamide (compound 6) was purchased from MedChem Express; Z-RLRGG-7-amino-4-methyl-courmarin (peptide-AMC) was purchased from Bachem; Ub-AMC was purchased from Boston Biochem; human ISG15-AMC was purchased from Boston Biochem; Lys6, Lys11, Lys29, Lys33, Lys48, Lys63, and linear linked di-Ub were obtained from Boston Biochem; DL-dithiothroitol (DTT) was purchased from GoldBio; Isopropyl β-D-thiogalactopyranoside (IPTG) was purchased from GoldBio; 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) was purchased from Fisher BioReagents; imidazole was purchased from Acros Organics; tris(hydroxymethyl)aminomethane (Tris) was purchased from Fisher Scientific; sodium chloride (NaCl) was purchased from Fisher Chemical; bovine serum albumin (BSA) was purchased from Sigma Life Science; dehydrated Luria–Bertani (LB) broth was purchased from Fisher Scientific; ampicillin was purchased from GoldBio.

Techniques: Binding Assay

Journal: ACS Infectious Diseases

Article Title: Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses

doi: 10.1021/acsinfecdis.1c00631

Figure Lengend Snippet: Crystal contacts affecting PLpro conformation (PDB 7SKQ). (A) Overlaid cartoon representations of BtSCoV-Rf1.2004 PLpro chain A (green) and chain B (blue). (B) Zinc finger loops of the two domains differ because of a crystal contact being made by chain B. (C) GRL0617 of chain B is shifted in the binding pocket because of a crystal contact with chain B V226.

Article Snippet: 5-Amino-2-methyl-N-[( R )-1-(1-naphthyl)ethyl]benzamide ( GRL0617 ) was purchased from Raystar, CN; 5-(acetylamino)-2-methyl- N -[(1 R )-1-(1-napthanlenyl)ethyl]-benzamide (compound 6) was purchased from MedChem Express; Z-RLRGG-7-amino-4-methyl-courmarin (peptide-AMC) was purchased from Bachem; Ub-AMC was purchased from Boston Biochem; human ISG15-AMC was purchased from Boston Biochem; Lys6, Lys11, Lys29, Lys33, Lys48, Lys63, and linear linked di-Ub were obtained from Boston Biochem; DL-dithiothroitol (DTT) was purchased from GoldBio; Isopropyl β-D-thiogalactopyranoside (IPTG) was purchased from GoldBio; 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) was purchased from Fisher BioReagents; imidazole was purchased from Acros Organics; tris(hydroxymethyl)aminomethane (Tris) was purchased from Fisher Scientific; sodium chloride (NaCl) was purchased from Fisher Chemical; bovine serum albumin (BSA) was purchased from Sigma Life Science; dehydrated Luria–Bertani (LB) broth was purchased from Fisher Scientific; ampicillin was purchased from GoldBio.

Techniques: Binding Assay