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Literature summary for 3.4.22.28 extracted from

  • Zhang, Q.; Cao, R.; Liu, A.; Lei, S.; Li, Y.; Yang, J.; Li, S.; Xiao, J.
    Design, synthesis and evaluation of 2,2-dimethyl-1,3-dioxolane derivatives as human rhinovirus 3C protease inhibitors (2017), Bioorg. Med. Chem. Lett., 27, 4061-4065 .
    View publication on PubMed
Search for more literature for 3.4.22.28

Application

Application Comment Organism
drug development 3C protease is regarded as an attractive target for the treatment of HRV infections Human rhinovirus sp.

Inhibitors

Inhibitors Comment Organism Structure
(4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[(4-phenylpiperazin-1-yl)carbonyl]-1,3-dioxolane-4-carboxamide 82.47% inhibition at 0.1 mM; complete inhibition at 0.1 mM Human rhinovirus sp.
(4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(3-methylbenzyl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide 78.74% inhibition at 0.1 mM; 84.20% inhibition at 0.1 mM Human rhinovirus sp.
(4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(pyridin-2-yl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide 85.35% inhibition at 0.1 mM; 97.80% inhibition at 0.1 mM Human rhinovirus sp.
(4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[(4-benzylpiperazin-1-yl)carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide 67.80% inhibition at 0.1 mM; 85.51% inhibition at 0.1 mM, molecular docking study using the HRV 3C protease structure, PDB ID 1CQQ Human rhinovirus sp.
(4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[[4-(2-cyanophenyl)piperazin-1-yl]carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide 56.36% inhibition at 0.1 mM; complete inhibition at 0.1 mM Human rhinovirus sp.
(4R,5R)-N-(1,3-benzothiazol-2-yl)-N'-[2-[(3-methoxyphenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide 99.91% inhibition at 0.1 mM Human rhinovirus sp.
(4R,5R)-N-(1,3-benzothiazol-2-yl)-N'-[2-[(4-methoxyphenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide 85.22% inhibition at 0.1 mM Human rhinovirus sp.
(4R,5R)-N4-(2-((3-methoxyphenyl)amino)ethyl)-2,2-dimethyl-N5-(naphthalen-2-yl)-1,3-dioxolane-4,5-dicarboxamide 80.56% inhibition at 0.1 mM Human rhinovirus sp.
additional information design, synthesis, and evaluation of 2,2-dimethyl-1,3-dioxolane derivatives as human rhinovirus 3C protease inhibitors. Virtual screening. Structure-function analysis, docking studies Human rhinovirus sp.

Organism

Organism UniProt Comment Textmining
Human rhinovirus sp.
-
 HRV
-

Synonyms

Synonyms Comment Organism
3C protease
-
 Human rhinovirus sp.

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[(4-phenylpiperazin-1-yl)carbonyl]-1,3-dioxolane-4-carboxamide
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(3-methylbenzyl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(pyridin-2-yl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[(4-benzylpiperazin-1-yl)carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[[4-(2-cyanophenyl)piperazin-1-yl]carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-N'-[2-[(4-methoxyphenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
0.01
-
 above, pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N4-(2-((3-methoxyphenyl)amino)ethyl)-2,2-dimethyl-N5-(naphthalen-2-yl)-1,3-dioxolane-4,5-dicarboxamide
2.5
-
 pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[[4-(2-cyanophenyl)piperazin-1-yl]carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
8.28
-
 pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-N'-[2-[(3-methoxyphenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
8.57
-
 pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[(4-phenylpiperazin-1-yl)carbonyl]-1,3-dioxolane-4-carboxamide
10.62
-
 pH and temperature not specified in the publication Human rhinovirus sp. (4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(pyridin-2-yl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide

General Information

General Information Comment Organism
physiological function the maturation and replication of this virus entirely depend on the activity of a virus-encoded 3C protease Human rhinovirus sp.