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Literature summary for 1.6.5.2 extracted from

  • Hassani, M.; Cai, W.; Koelsch, K.H.; Holley, D.C.; Rose, A.S.; Olang, F.; Lineswala, J.P.; Holloway, W.G.; Gerdes, J.M.; Behforouz, M.; Beall, H.D.
    Lavendamycin antitumor agents: structure-based design, synthesis, and NAD(P)H:quinone oxidoreductase 1 (NQO1) model validation with molecular docking and biological studies (2008), J. Med. Chem., 51, 3104-3115.
    View publication on PubMed
Search for more literature for 1.6.5.2

Application

Application Comment Organism
drug development design of novel lavendamycin analogues with enhanced, selective, and potent antitumor activity Homo sapiens
pharmacology a series of lavendamycin analogues are tested in docking studies employing an X-ray derived NQO1 active site computational model, structure-based analogue design criteria are valid, resulting in the design of two analogues with high substrate specificity and selective toxicity toward NQO1-rich cells Homo sapiens

Cloned(Commentary)

Cloned (Comment) Organism
-
 Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
1H69 crystal structure-based in silico model of NQO1 active site, NQO1 complex with bound FAD and indolequinone Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
7-N-acetyldemethyllavendamycin n-butyl amide lavendamycin analogue 12, selective toxic toward NQO1-rich cells Homo sapiens
lavendamycin beta-hydroxyethyl ester lavendamycin analogue 12, selective toxic toward NQO1-rich cells Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P15559
-
-
Homo sapiens P15559 recombinant protein and in human colon adenocarcinoma cells
-

Source Tissue

Source Tissue Comment Organism Textmining
colonic adenocarcinoma cell NQO1-deficient BE and NQO1-rich BE-NQ Homo sapiens
-
colonic cancer cell BE human colon adenocarcinoma cells, stably NQO1-transfected BE-NQ cells69 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
7-N-(2-furoyl)demethyllavendamycin methyl ester + NADH poor substrate Homo sapiens ? + NAD+
-
 ?
7-N-acetyldemethyllavendamycin n-butyl amide + NADH good substrate Homo sapiens ? + NAD+
-
 ?
7-N-acetyldemethyllavendamycin sec-butyl amide + NADH poor substrate Homo sapiens ? + NAD+
-
 ?
lavendamycin beta-hydroxyethyl ester + NADH good substrate Homo sapiens ? + NAD+
-
 ?

Synonyms

Synonyms Comment Organism
NAD(P)H:quinone oxidoreductase 1
-
 Homo sapiens
NADPH:quinone oxidoreductase 1
-
 Homo sapiens
NQO1
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
FAD
-
 Homo sapiens