Literature summary for 5.6.2.1 extracted from

You, Q.D.; Li, Z.Y.; Huang, C.H.; Yang, Q.; Wang, X.J.; Guo, Q.L.; Chen, X.G.; He, X.G.; Li, T.K.; Chern, J.W.
Discovery of a novel series of quinolone and naphthyridine derivatives as potential topoisomerase I inhibitors by scaffold modification (2009), J. Med. Chem., 52, 5649-5661.

Inhibitors

Inhibitors	Comment	Organism
(S)-6-(6-nitrobenzothiazol-2-yl)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine	-	Homo sapiens
(S)-6-(benzothiazol-2-yl)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-7H-pyrido[1,2,3-de][1,4]-benzoxazine	-	Homo sapiens
1-ethyl-3-(5-aminobenzimidazol-2-yl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-aminobenzoimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naph- thyridin-4(1H)-one	-	Homo sapiens
1-ethyl-3-(6-aminobenzoimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridin-4(1H)-one	-	Homo sapiens
1-ethyl-3-(6-aminobenzoimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-chlorobenzimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridine-4(1H)-one	-	Homo sapiens
1-ethyl-3-(6-chlorobenzimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzimidazol-2-yl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridine-4(1H)-one	-	Homo sapiens
1-ethyl-3-(6-nitrobenzimidazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzothiazol-2-yl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzothiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzothiazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridine-4(1H)-one	-	Homo sapiens
1-ethyl-3-(6-nitrobenzothiazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzoxazol-2-yl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4(1H)-quinolone	interacts with DNA-Top I complex and induces cancer cell apoptosis to produce antitumor effects, in vivo inhibition of anchorage-dependent colony formation	Homo sapiens
1-ethyl-3-(6-nitrobenzoxazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(6-nitrobenzoxazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridine-4(1H)-one	-	Homo sapiens
1-ethyl-3-(6-nitrobenzoxazol-2-yl)-6-fluoro-7-chloro-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(benzothiazol-2-yl)-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(benzothiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-3-(benzothiazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridine-4(1H)-one	-	Homo sapiens
1-ethyl-3-(benzothiazol-2-yl)-6-fluoro-7-(piperazin-1-yl)-4(1H)-quinolone	-	Homo sapiens
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-3-(6-nitro-1,3-benzoxazol-2-yl)quinolin-4(1H)-one	interacts with DNA-Top I complex and induces cancer cell apoptosis to produce antitumor effects	Homo sapiens
10-Hydroxycamptothecin	-	Homo sapiens
3-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one	-	Homo sapiens
3-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridin-4(1H)-one	-	Homo sapiens
3-(1,3-benzoxazol-2-yl)-7-chloro-1-ethyl-6,8-difluoroquinolin-4(1H)-one	-	Homo sapiens
3-(1,3-benzoxazol-2-yl)-7-chloro-1-ethyl-6-fluoroquinolin-4(1H)-one	-	Homo sapiens
3-(1H-benzimidazol-2-yl)-1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4(1H)-one	-	Homo sapiens
3-(1H-benzimidazol-2-yl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one	-	Homo sapiens
3-(1H-benzimidazol-2-yl)-1-ethyl-6-fluoro-7-(piperazin-1-yl)-1,8-naphthyridin-4(1H)-one	-	Homo sapiens
3-(1H-benzimidazol-2-yl)-1-ethyl-6-fluoro-7-(piperazin-1-yl)quinolin-4(1H)-one	-	Homo sapiens
camptothecin	-	Homo sapiens
irinotecan	-	Homo sapiens
additional information	inhibitor design and synthesis, anti-proliferative activity study in human cancer cell lines, effect of quinolone and naphthyridine derivatives on Top I activity, overview	Homo sapiens
topotecan	-	Homo sapiens

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
nucleus	-	Homo sapiens	5634	-

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	required	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
A-549 cell	-	Homo sapiens	-
AGS cell	-	Homo sapiens	-
carcinoma cell	-	Homo sapiens	-
HeLa cell	-	Homo sapiens	-
HEP-3B cell	-	Homo sapiens	-
Hep-G2 cell	-	Homo sapiens	-
HT-29 cell	-	Homo sapiens	-
K-562 cell	-	Homo sapiens	-
MCF-7 cell	-	Homo sapiens	-
MDA-MB-231 cell	-	Homo sapiens	-
MDA-MB-361 cell	-	Homo sapiens	-
PC-3 cell	-	Homo sapiens	-
THP-1 cell	-	Homo sapiens	-
U-937 cell	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
additional information	substrate is superhelical DNA in plasmid supercoiled pBR322, with deoxy-nucleotides, relaxation	Homo sapiens	?	-	?

Synonyms

Synonyms	Comment	Organism
top I	-	Homo sapiens
Topoisomerase I	-	Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	assay at	Homo sapiens

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
8	-	assay at	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
additional information	-	IC50 values of inhibitors in different cancer cell lines in vivo, effects after transient transfection, overview	Homo sapiens	additional information

General Information

General Information	Comment	Organism
physiological function	DNA topoisomerase I is ubiquitous and essential in mammals and is involved in tumor growth	Homo sapiens