Berberine | MMP-AC0026

	Compound Name :	Berberine
	Compound Class :	Alkaloids
	Synonyms :	berberine; 2086-83-1; Berberin; Umbellatine; UNII-0I8Y3P32UF; 0I8Y3P32UF; CHEBI:16118; Berberal; EINECS 218-229-1; BRN 3570374; BER; NSC646666; NCGC00016526-02; NCGC00016526-07; CAS-633-65-8; Berbericine; Umbellatin; Berbinium; Majarine; Thalsine; berberine dimer; Coptis rhizome; Berberinechloride; Umbellatine (6CI); Spectrum_001110;
	Compound Extracted from :	Berberine is extracted / reported from 5 Plant(s) of Melghat Flora as below MH001: Tinospora cordifolia auct. non (DC). Miers: Hook f. & Thoms.; MH002: Argemone mexicana L.; MH454: Argemone ochroleuca Sweet ; MT020: Ziziphus mauritiana Lam.; MT116: Juglans regia ;

	Molecular Formula :	C20H18NO4+
	Molecular Weight :	336.367
	InChi Key :	YBHILYKTIRIUTE-UHFFFAOYSA-N
	IUPAC :	(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
	InChi :	InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
	Hydrogen Bond Donor count :	0
	Hydrogen Bond Acceptor count :	4
	Rotational Bond count :	2
	TPSA :	40.8
	LogP Value :	3.6

	Lipinski Rule of Five :	Yes
	Ghose Filter :	No
	Veber Filter :	Yes
	Muegge Filter :	Yes

	PubChem CID :	2353
	Drugbank ID :	DB04115
	Super Natural :	002086831
	CTD :	D001599
	HIT :	C0391
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/29170048

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0026	MCF-7	Breast	19.6±2.21 µM (LC50)	-	-	-	15030931
MMP-AC0026	HT-29	Colon	30.9±7.1 µM (LC50)	-	-	-	15030931
MMP-AC0026	RAW264	Haematopoietic and Lymphoid tissue	73±10 µM	-	-	-	21372424
MMP-AC0026	HEp-2	Head and Neck	28.7±3.2 µM (LC50)	-	-	-	15030931
MMP-AC0026	MKN-45	Stomach	40.5±7.1 µM (LC50)	-	-	-	15030931

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0026	BCL2	B-cell CLL/lymphoma 2	596	Colon cancer	SW-620	-	-	-	-	Western analysis showed a marked down-regulation in the c-IAP1 protein as well as Bcl-XL and Bcl-2 in berberine treatment SW620 cell.	17673978
MMP-AC0026	BCL2L1	BCL2-like 1	598	Colon cancer	SW-620	-	-	-	-	Western analysis showed a marked down-regulation in the c-IAP1 protein as well as Bcl-XL and Bcl-2 in berberine treatment SW620 cell.	17673978
MMP-AC0026	BID	BH3 interacting domain death agonist	637	Colon cancer	SW-620	-	-	-	-	Levels of cleaved BID showed significantly increase to 2.6 fold of control with the treatment of Berberine.	17673978
MMP-AC0026	BIRC2	baculoviral IAP repeat containing 2	329	Colon cancer	SW-620	-	-	-	-	Western analysis showed a marked down-regulation in the c-IAP1 protein as well as Bcl-XL and Bcl-2 in berberine treatment SW620 cell.	17673978
MMP-AC0026	CASP3	caspase 3, apoptosis-related cysteine peptidase	836	Prostate Cancer	PC-3	-	-	-	-	Treatment of PC-3 cells with berberine increases the cleavage of caspase-3	18275980
MMP-AC0026	CASP9	caspase 9, apoptosis-related cysteine peptidase	842	Prostate Cancer	PC-3	-	-	-	-	Treatment of PC-3 cells with berberine increases the cleavage of caspase-9 and PARP dose-dependently while decreases the levels of caspase-9.	18275980
MMP-AC0026	CYCS	cytochrome c	54205	Colon cancer	SW-620	-	-	-	-	Berberine was shown to result in detectable levels of cytochrome c in the cytosol.	17673978
MMP-AC0026	FASLG	Fas ligand(TNF superfamily, member 6)	356	Colon cancer	SW-620	-	-	-	-	Berberine was shown to result in increased levels of Fas-L.	17673978
MMP-AC0026	MAPK1	mitogen-activated protein kinase 1	5594	Colon cancer	SW-620	-	-	-	-	Berberine was shown to result in time-dependent phosphorylation of p38 MAPK.	17673978
MMP-AC0026	MAPK8	mitogen-activated protein kinase 8	5599	Colon cancer	SW-620	-	-	-	-	Berberine was shown to result in time-dependent phosphorylation of JNK	17673978
MMP-AC0026	PARP1	poly (ADP-ribose) polymerase 1	142	Colon cancer	SW-620	-	-	-	-	Berberine was shown to result in dose-dependent cleavage of PARP for 12 or 24 h.	17673978
MMP-AC0026	PARP1	poly (ADP-ribose) polymerase 1	142	Prostate Cancer	PC-3	-	-	-	-	Treatment of PC-3 cells with berberine induces disruption of mitochondrial membrane potential leading to release of apoptogenic factors in cytosols and activation of caspases and PARP.	18275980

MMP-AC0026 : Berberine