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Literature summary extracted from

  • Karnsomwan, W.; Netcharoensirisuk, P.; Rungrotmongkol, T.; De-Eknamkul, W.; Chamni, S.
    Synthesis, biological evaluation and molecular docking of avicequinone C analogues as potential steroid 5alpha-reductase inhibitors (2017), Chem. Pharm. Bull., 65, 253-260 .
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.3.1.22 molecular docking of inhibitors. The furanonaphthoquinones reside closely adjacent to NADPH and likely interact with Tyr95 of the enzyme as well as NADPH Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.3.1.22 2,5-dihydroxy-1,4-benzoquinone inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 2-(2-hydroxypropan-2-yl)-2,3-dihydronaphtho[2,3-b]furan-4,9-dione inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 2-acetyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 2-acetylnaphtho[2,3-b]furan-4,9-dione inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 2-propanoylnaphtho[2,3-b]furan-4,9-dione inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 avicequinone C inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 Lapachol inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 Lawsone inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens
1.3.1.22 naphtho[2,3-b]furan-4,9-dione inhibitor isolated from Thai mangrove Avicennia marina Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
1.3.1.22 Homo sapiens
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
1.3.1.22 HaCaT cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.3.1.22 testosterone + NADPH + H+
-
 Homo sapiens 17beta-hydroxy-5alpha-androstan-3-one + NADP+
-
 ?

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.3.1.22 0.0002
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens 2-propanoylnaphtho[2,3-b]furan-4,9-dione
1.3.1.22 0.0012
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens 2-acetyl-2,3-dihydronaphtho[2,3-b]furan-4,9-dione
1.3.1.22 0.0043
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens naphtho[2,3-b]furan-4,9-dione
1.3.1.22 0.0045
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens avicequinone C
1.3.1.22 0.0096
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens 2-(2-hydroxypropan-2-yl)-2,3-dihydronaphtho[2,3-b]furan-4,9-dione
1.3.1.22 0.2
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens Lapachol
1.3.1.22 0.2
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens Lawsone
1.3.1.22 0.2
-
 cell-based assay, 37°C, pH not specified in the publication Homo sapiens 2,5-dihydroxy-1,4-benzoquinone