InterPAD - DETAILS

(9 beta,13 alpha,14 beta, 20 alpha)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid methyl ester, celastrol methyl ester, pristimerin

No.	Title	Href
1	Pristimerin synergistically sensitizes conditionally reprogrammed patient derived-primary hepatocellular carcinoma cells to sorafenib through endoplasmic reticulum stress and ROS generation by modulating Akt/FoxO1/p27kip1 signaling pathway. Phytomedicine. 2021 Jun;86:153563. doi: 10.1016/j.phymed.2021.153563.	`Click`
2	Accurate delivery of pristimerin and paclitaxel by folic acid-linked nano-micelles for enhancing chemosensitivity in cancer therapy. Nano Converg. 2022 Nov 24;9(1):52. doi: 10.1186/s40580-022-00343-5.	`Click`
3	Pristimerin synergizes with gemcitabine through abrogating Chk1/53BP1-mediated DNA repair in pancreatic cancer cells. Food Chem Toxicol. 2021 Jan;147:111919. doi: 10.1016/j.fct.2020.111919.	`Click`

No.

Title

Href

Pristimerin synergistically sensitizes conditionally reprogrammed patient derived-primary hepatocellular carcinoma cells to sorafenib through endoplasmic reticulum stress and ROS generation by modulating Akt/FoxO1/p27kip1 signaling pathway. Phytomedicine. 2021 Jun;86:153563. doi: 10.1016/j.phymed.2021.153563.

Click

Accurate delivery of pristimerin and paclitaxel by folic acid-linked nano-micelles for enhancing chemosensitivity in cancer therapy. Nano Converg. 2022 Nov 24;9(1):52. doi: 10.1186/s40580-022-00343-5.

Click

Pristimerin synergizes with gemcitabine through abrogating Chk1/53BP1-mediated DNA repair in pancreatic cancer cells. Food Chem Toxicol. 2021 Jan;147:111919. doi: 10.1016/j.fct.2020.111919.

Click

Name	Pristimerin
PubChem CID	159516
Molecular Weight	464.6g/mol
Synonyms	(9 beta,13 alpha,14 beta, 20 alpha)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid methyl ester, celastrol methyl ester, pristimerin
Formula	C₃₀H₄₀O₄
SMILES	CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
InChI	1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKey	JFACETXYABVHFD-WXPPGMDDSA-N
CAS Number	1258-84-0
ChEMBL ID	CHEMBL54804
ChEBI ID	CHEBI:8416
Herb ID	HBIN040737
Drug Bank ID	DB17049
KEGG ID	C08633
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Chineses Pinyin	NanSheTeng
Use Part	Stem Vine
Habitat	China
Flavor	Bitter, Pungent
Meridian Tropism	Liver, Bladder
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Celastrales 　　　　-->Family: Celastraceae 　　　　　-->Genus: Celastrus 　　　　　　-->Species: Celastrus orbiculatus

Chineses Pinyin	QiaoCha
Use Part	Leaf
Habitat	HaiNan, GuangXi
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Celastrales 　　　　-->Family: Celastraceae 　　　　　-->Genus: Catha 　　　　　　-->Species: Catha edulis

Chineses Pinyin	BianShuoTeng
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Celastrales 　　　　-->Family: Celastraceae 　　　　　-->Genus: Pristimera 　　　　　　-->Species: Pristimera indica

Pair Name	Pristimerin, Sorafenib
Partner Name	Sorafenib
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Inhibition-->Cell migration and angiogenesis
Gene Regulation	Up-regulation	Expression	CYCS	hsa54205
	Up-regulation	Cleavage	CASP3	hsa836
	Up-regulation	Cleavage	CASP4	hsa837
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Expression	HSPA5	hsa3309
	Up-regulation	Expression	DDIT3	hsa1649
	Up-regulation	Phosphorylation	EIF2AK3	hsa9451
	Up-regulation	Phosphorylation	EIF2S1	hsa1965
	Down-regulation	Phosphorylation	AKT1	hsa207
	Up-regulation	Expression	FOXO1	hsa2308
	Up-regulation	Expression	PSMD9	hsa5715
In Vitro Model	CRHCs	CRHCs isolated from the 9 patients would be used for the following experiments.	Homo sapiens (Human)	N.A.
Result	Pristimerin synergistically sensitizes conditionally reprogrammed patient derived-primary hepatocellular carcinoma cells to sorafenib through endoplasmic reticulum stress and ROS generation by modulating Akt/FoxO1/p27kip1 signaling pathway

Pair Name	Pristimerin, Paclitaxel
Partner Name	Paclitaxel
Disease Info	[ICD-11: 2C25.Z]	Lung cancer		Investigative
Gene Regulation	Up-regulation	Expression	CDH1	hsa999
	Down-regulation	Expression	CDH2	hsa1000
	Down-regulation	Expression	VIM	hsa7431
In Vitro Model	A-549	Lung adenocarcinoma	Homo sapiens (Human)	CVCL_0023
In Vivo Model	Xenograft inhibition of P@FPP NMs The A549 xenograft bearing nude mice (~ 80 mm3) were randomly divided into five groups (n = 4) and then intravenously injection of the following formulations: PBS, PRI, PTX, PRI in combination of PTX, and P@FPP NMs.
Result	This active-targeting NMs provides a versatile nano-herb strategy for improving tumor-targeting of Chinese herbal extracts, which may help in the promotion of enhancing chemosensitivity of NSCLC in clinical applications.

Pair Name	Pristimerin, Gemcitabine
Partner Name	Gemcitabine
Disease Info	[ICD-11: 2C10.0]	Pancreatic ductal adenocarcinoma		Investigative
Biological Phenomena	Induction-->DNA damage
Gene Regulation	Down-regulation	Phosphorylation	CHEK1	hsa1111
Gene Regulation	Down-regulation	Expression	TP53	hsa7157
In Vitro Model	AsPC-1	Pancreatic ductal adenocarcinoma	Homo sapiens (Human)	CVCL_0152
	BxPC-3	Pancreatic ductal adenocarcinoma	Homo sapiens (Human)	CVCL_0186
	PANC-1	Pancreatic ductal adenocarcinoma	Homo sapiens (Human)	CVCL_0480
Result	These results show that pristimerin acts as a naturally occurring inhibitor of RSR, and a novel therapeutic strategy of combining pristimerin and gemcitabine deserves further detailed investigation in PC models in vivo.