Details of the Drug Combination

General Information of Drug Combination (ID: DCBJR99)

• Drug Combination Name: Nicotinamide + Idarubicin
• Indication: Glioblastoma?; Status: Investigative [1]
• Component Drugs:
  Nicotinamide (DMUPE07): Small molecular drug
  Idarubicin (DMM0XGL): Small molecular drug
• High-throughput Screening Result:
  Testing Cell Line: T98G
  Zero Interaction Potency (ZIP) Score: 11.62
  Bliss Independence Score: 11.62
  Loewe Additivity Score: 5.22
  LHighest Single Agent (HSA) Score: 5.22

Molecular Interaction Atlas of This Drug Combination

Indication(s) of Nicotinamide

Disease Entry	ICD 11	Status	REF
Acne vulgaris	ED80	Approved	[2]
Clear cell renal carcinoma	N.A.	Approved	[3]
Inflammatory skin condition	EF20.Y	Approved	[4]
Pellagra	N.A.	Approved	[5]
Primary hypercholesterolemia	5C80.00	Approved	[6]
Psoriasis	EA90	Approved	[7]
Thyroid cancer	2D10	Approved	[8]

Nicotinamide Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
Poly [ADP-ribose] polymerase 1 (PARP1)	TTVDSZ0	PARP1_HUMAN	Binder	[12]

Nicotinamide Interacts with 1 DME Molecule(s)

DME Name	DME ID	UniProt ID	Mode of Action	REF
Cytochrome P450 2E1 (CYP2E1)	DEVDYN7	CP2E1_HUMAN	Metabolism	[13]

Nicotinamide Interacts with 31 DOT Molecule(s)

DOT Name	DOT ID	UniProt ID	Mode of Action	REF
Inhibitor of nuclear factor kappa-B kinase subunit alpha (CHUK)	OTLF4ZB1	IKKA_HUMAN	Increases Activity	[14]
Bcl-2-like protein 11 (BCL2L11)	OTNQQWFJ	B2L11_HUMAN	Increases Expression	[15]
Cytochrome c oxidase subunit 1 (COX1)	OTG3O9BN	COX1_HUMAN	Increases Expression	[11]
Tumor necrosis factor (TNF)	OT4IE164	TNFA_HUMAN	Increases Expression	[16]
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Decreases Expression	[17]
Ferritin heavy chain (FTH1)	OT6IFS0O	FRIH_HUMAN	Increases Expression	[11]
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Decreases Expression	[18]
Interleukin-6 (IL6)	OTUOSCCU	IL6_HUMAN	Decreases Expression	[19]
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Increases Expression	[16]
C-C motif chemokine 2 (CCL2)	OTAD2HEL	CCL2_HUMAN	Decreases Expression	[20]
Tissue factor (F3)	OT3MSU3B	TF_HUMAN	Decreases Expression	[20]
Matrix metalloproteinase-9 (MMP9)	OTB2QDAV	MMP9_HUMAN	Increases Expression	[14]
SHC-transforming protein 1 (SHC1)	OT1J5IRN	SHC1_HUMAN	Increases Expression	[21]
Prostaglandin G/H synthase 2 (PTGS2)	OT75U9M4	PGH2_HUMAN	Increases Expression	[14]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Decreases Expression	[18]
Serine/threonine-protein kinase mTOR (MTOR)	OTHH8KU7	MTOR_HUMAN	Increases Phosphorylation	[22]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Increases Cleavage	[14]
Nicotinamide phosphoribosyltransferase (NAMPT)	OTVJR3GL	NAMPT_HUMAN	Decreases Expression	[15]
Transcription factor SOX-9 (SOX9)	OTVDJFGN	SOX9_HUMAN	Decreases Expression	[14]
C-C motif chemokine 20 (CCL20)	OTUCJY4N	CCL20_HUMAN	Increases Expression	[16]
E3 ubiquitin-protein ligase Mdm2 (MDM2)	OTOVXARF	MDM2_HUMAN	Increases Expression	[23]
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Increases Expression	[23]
Acetyl-CoA carboxylase 1 (ACACA)	OT5CQPZY	ACACA_HUMAN	Decreases Phosphorylation	[24]
Eukaryotic translation initiation factor 4E-binding protein 1 (EIF4EBP1)	OTHBQVD5	4EBP1_HUMAN	Increases Phosphorylation	[22]
NAD-dependent protein deacetylase sirtuin-2 (SIRT2)	OT5Q6SVK	SIR2_HUMAN	Decreases Activity	[25]
NAD-dependent protein deacetylase sirtuin-1 (SIRT1)	OTAYZMOY	SIR1_HUMAN	Decreases Expression	[26]
Bcl-2-binding component 3, isoforms 3/4 (BBC3)	OTUAXDAY	BBC3B_HUMAN	Increases Expression	[15]
Pituitary homeobox 2 (PITX2)	OTWMXAOY	PITX2_HUMAN	Increases Expression	[27]
SOSS complex subunit B1 (NABP2)	OTQU8081	SOSB1_HUMAN	Decreases Ubiquitination	[28]
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A)	OTHCDQ22	PRGC1_HUMAN	Increases Acetylation	[24]
Chimeric ERCC6-PGBD3 protein (ERCC6)	OT2QZKSF	ERPG3_HUMAN	Increases Abundance	[29]

Indication(s) of Idarubicin

Disease Entry	ICD 11	Status	REF
Acute myelogenous leukaemia	2A41	Approved	[9]
Acute myeloid leukaemia	2A60	Approved	[10]
Adult acute monocytic leukemia	N.A.	Approved	[9]
Childhood acute megakaryoblastic leukemia	N.A.	Approved	[9]
Leukemia	N.A.	Approved	[9]

Idarubicin Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN; TOP2B_HUMAN	Modulator	[31]

Idarubicin Interacts with 3 DTP Molecule(s)

DTP Name	DTP ID	UniProt ID	Mode of Action	REF
Multidrug resistance-associated protein 1 (ABCC1)	DTSYQGK	MRP1_HUMAN	Substrate	[32]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[33]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[33]

Idarubicin Interacts with 2 DME Molecule(s)

DME Name	DME ID	UniProt ID	Mode of Action	REF
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Metabolism	[34]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Metabolism	[34]

Idarubicin Interacts with 9 DOT Molecule(s)

DOT Name	DOT ID	UniProt ID	Mode of Action	REF
Estrogen receptor (ESR1)	OTKLU61J	ESR1_HUMAN	Decreases Activity	[30]
Heme oxygenase 1 (HMOX1)	OTC1W6UX	HMOX1_HUMAN	Increases Expression	[35]
Androgen receptor (AR)	OTUBKAZZ	ANDR_HUMAN	Increases Activity	[30]
Natriuretic peptides B (NPPB)	OTSN2IPY	ANFB_HUMAN	Increases Expression	[36]
Peroxisome proliferator-activated receptor gamma (PPARG)	OTHMARHO	PPARG_HUMAN	Decreases Activity	[30]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Increases Activity	[37]
Peroxisome proliferator-activated receptor delta (PPARD)	OTI4WTOP	PPARD_HUMAN	Decreases Activity	[30]
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Decreases Activity	[38]
Bile acid receptor (NR1H4)	OTWZLPTB	NR1H4_HUMAN	Decreases Activity	[30]

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