InterPAD - DETAILS

(E)-guggulsterone, (Z)-guggulsterone, guggulsterone, pregna-4,17-diene-3,16-dione, pregna-4,17-diene-3,16-dione, (17E)-isomer, pregna-4,17-diene-3,16-dione, (17Z)-isomer

No.	Title	Href
1	Enhanced antitumor effect of combination therapy with gemcitabine and guggulsterone in pancreatic cancer. Pancreas. 2012 Oct;41(7):1048-57. doi: 10.1097/MPA.0b013e318249d62e.	`Click`
2	Reversal of doxorubicin resistance by guggulsterone of Commiphora mukul in vivo. Phytomedicine. 2014 Sep 25;21(11):1221-9. doi: 10.1016/j.phymed.2014.06.003.	`Click`

No.

Title

Href

Enhanced antitumor effect of combination therapy with gemcitabine and guggulsterone in pancreatic cancer. Pancreas. 2012 Oct;41(7):1048-57. doi: 10.1097/MPA.0b013e318249d62e.

Click

Reversal of doxorubicin resistance by guggulsterone of Commiphora mukul in vivo. Phytomedicine. 2014 Sep 25;21(11):1221-9. doi: 10.1016/j.phymed.2014.06.003.

Click

Name	Guggulsterone
PubChem CID	6450278
Molecular Weight	312.4g/mol
Synonyms	(E)-guggulsterone, (Z)-guggulsterone, guggulsterone, pregna-4,17-diene-3,16-dione, pregna-4,17-diene-3,16-dione, (17E)-isomer, pregna-4,17-diene-3,16-dione, (17Z)-isomer
Formula	C₂₁H₂₈O₂
SMILES	CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI	1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
InChIKey	WDXRGPWQVHZTQJ-OSJVMJFVSA-N
CAS Number	39025-23-5
ChEMBL ID	CHEMBL410683
ChEBI ID	CHEBI:135338
Herb ID	HBIN028535
Structure		Download 2D MOL 3D MOL

Chineses Pinyin	MoYao
Use Part	Balsam
Flavor	Pungent, Bitter
Meridian Tropism	Heart, Liver, Spleen
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Sapindales 　　　　-->Family: Burseraceae 　　　　　-->Genus: Commiphora 　　　　　　-->Species: Commiphora myrrha

Chineses Pinyin	MuKuErMoYao
Use Part	Oil gum resin exuding from the stem bark
Flavor	Pungent
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Dicotyledoneae 　　　-->Order: Sapindales 　　　　-->Family: Burseraceae 　　　　　-->Genus: Commiphora 　　　　　　-->Species: Commiphora mukul

Pair Name	Guggulsterone, Gemcitabine
Partner Name	Gemcitabine
Disease Info	[ICD-11: 2C10.0]	Pancreatic ductal adenocarcinoma		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Phosphorylation	AKT1	hsa207
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Phosphorylation	MAPK8	hsa5599
	Down-regulation	Activity	NFKB1	hsa4790
In Vitro Model	MIA PaCa-2	Pancreatic ductal adenocarcinoma	Homo sapiens (Human)	CVCL_0428
In Vitro Model	PANC-1	Pancreatic ductal adenocarcinoma	Homo sapiens (Human)	CVCL_0480
In Vivo Model	To ceate the subcutaneous xenograft model, mice were subcutaneously inoculated with MiaPaCa-2 cells (1×10⁶cells/mouse) in 1 mL of Matrigel.
Result	The combination of guggulsterone to gemcitabine enhanced antitumor efficacy through apoptosis induction by suppressing Akt and nuclear factor KappaB activity and by modulating apoptosis-related protein expression in pancreatic cancer

Pair Name	Guggulsterone, Doxorubicin
Partner Name	Doxorubicin
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	ABCB1	hsa5243
Gene Regulation	Down-regulation	Expression	BCL2	hsa596
In Vitro Model	MCF-7(DOX/R)	Invasive breast carcinoma	Homo sapiens (Human)	CVCL_C4M9
In Vitro Model	MCF-7	Invasive breast carcinoma of no special type	Homo sapiens (Human)	CVCL_0031
In Vivo Model	Transplantable cells (1×10⁷) were collected and subcutaneously injected in the right flanks of mice.
Result	Further studies demonstrated the inhibitory effects of guggulsterone on Bcl-2 and P-glycoprotein expression were the possible reason to increase chemosensitivity of MCF-7/DOX cells to doxorubicin in vivo. Examining body weight, hematological parameters, hepatic, cardiac and gastrointestinal tracts histopathology revealed that no significant signs of toxicity were related to guggulsterone. Guggulsterone might reverse doxorubicin resistance in vivo, with no severe side effects.