Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0377)
Name
Albiziabioside A
Synonyms
Albiziabioside A

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Structure
3D MOL
2D MOL
Formula
C43H69NO12
IUPAC Name
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES
CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)COC7C(C(C(CO7)O)O)O)O)O
InChI
InChI=1S/C43H69NO12/c1-22(45)44-30-33(49)32(48)26(21-54-36-34(50)31(47)25(46)20-53-36)55-35(30)56-29-12-13-40(6)27(39(29,4)5)11-14-42(8)28(40)10-9-23-24-19-38(2,3)15-17-43(24,37(51)52)18-16-41(23,42)7/h9,24-36,46-50H,10-21H2,1-8H3,(H,44,45)(H,51,52)/t24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,40-,41+,42+,43-/m0/s1
InChIKey
MBMJMOODCJFAET-FTLPUPRYSA-N
PubChem CID
102140199
Full List of Ferroptosis Target Related to This Drug
Unspecific Target
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Responsed Disease Colon cancer ICD-11: 2B90
 Disease Info 
Responsed Regulator Cellular tumor antigen p53 (TP53) Driver
 Regulator Info 
Pathway Response Fatty acid metabolism hsa01212
Ferroptosis hsa04216
Apoptosis hsa04210
Cell Process Cell ferroptosis
Cell apoptosis
In Vitro Model MCF-7 cells Breast carcinoma Homo sapiens CVCL_0031
HCT 116 cells Colon carcinoma Homo sapiens CVCL_0291
hBMECs (Human brain microvascular endothelial cells)
L-02 cells Endocervical adenocarcinoma Homo sapiens CVCL_6926
HaCaT cells Normal Homo sapiens CVCL_0038
HCT-8 cells Ileocecal adenocarcinoma Homo sapiens CVCL_2478
Hep-G2 cells Hepatoblastoma Homo sapiens CVCL_0027
A-549 cells Lung adenocarcinoma Homo sapiens CVCL_0023
CCD-841CoN cells Normal Homo sapiens CVCL_2871
BEAS-2B cells Normal Homo sapiens CVCL_0168
BEL-7402 cells Endocervical adenocarcinoma Homo sapiens CVCL_5492
In Vivo Model
A total of 1 x 107 HCT116 cells were subcutaneously inoculated into the right flank of BALB/c mice. When tumor reached 70-100 mm3 (10 days after implant), mice were divided into five groups of eight animals at random. The groups with D13 were administered intravenously 20 mg/kg and 10 mg/kg. The positive control group was treated with AlbA(20 mg/kg and 10 mg/kg) through intravenous injection. The negative control group received 0.9% normal saline through intravenous injection.

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Response regulation The study synthesized a series of Albiziabioside A derivatives and evaluated the antitumor activity both in vitro and in vivo. Compound D13 could induce apoptosis and ferroptosis through the mitochondrial pathway as a p53 activator. In addition, compound D13 significantly suppressed tumorigenesis without inducing toxicity in normal organs in vivo. The antitumor efficacy of D13 was further verified in colon cancer xenograft mouse models.
References
Ref 1 Novel antitumor compound optimized from natural saponin Albiziabioside A induced caspase-dependent apoptosis and ferroptosis as a p53 activator through the mitochondrial pathway. Eur J Med Chem. 2018 Sep 5;157:759-772. doi: 10.1016/j.ejmech.2018.08.036. Epub 2018 Aug 14.