Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM0B7NO)

Drug Name
Isoarnebin 4 Drug Info
Synonyms Shikonin; NSC 252844; Shikonin S; Shikonin,(S); Tokyo Violet
Indication
Disease Entry ICD 11 Status REF
Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [1]
Therapeutic Class
Antiviral Agents
Cross-matching ID
PubChem CID
479503
ChEBI ID
CHEMBL9470
CAS Number
CAS 517-89-5
TTD Drug ID
DM0B7NO

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Discontinued Drug(s)
Preclinical Drug(s)
Download the Complete Related Drug List
Drug(s) Targeting COVID-19 papain-like proteinase (PL-PRO)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Disulfiram DMCL2OK Alcohol dependence 6C40.2 Approved [1]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [7]
SPI-1005 DM6XFHS Reperfusion injury ND56.Z Approved [1]
PX-12 DMLVHAJ Pancreatic cancer 2C10 Phase 2 [1]
Tideglusib DME4LA1 Alzheimer disease 8A20 Phase 2 [1]
Hexylcarbamoyl fluorouracil DMYNPK8 Solid tumour/cancer 2A00-2F9Z Withdrawn from market [1]
PMID26868298-compound-N3 DMQFUCD Middle East Respiratory Syndrome (MERS) 1D64 Preclinical [1]
GRL0617 DMX9AGF Coronavirus infection 1D92 Preclinical [8]
PMID32321856-compound-11a DMN39V6 Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [9]
PMID32321856-compound-11b DM31QEY Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [9]
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Drug(s) Affected By Zinc finger protein SNAI2 (SNAI2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [10]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [11]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [12]
Panobinostat DM58WKG Chronic graft versus host disease Approved [13]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [14]
Testosterone DM7HUNW Hot flushes GA30 Approved [15]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [15]
Leflunomide DMR8ONJ Arthritis FA20 Approved [16]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [17]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [18]
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Drug(s) Affected By Zinc finger protein SNAI1 (SNAI1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [19]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [10]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [11]
Quercetin DM3NC4M Obesity 5B81 Approved [20]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [21]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [22]
Acocantherin DM7JT24 Atrial fibrillation BC81.3 Approved [23]
Leflunomide DMR8ONJ Arthritis FA20 Approved [16]
Aldosterone DM9S2JW Hypertension BA00-BA04 Approved [24]
Sanguinarine DMDINFS Dental plaque DA08.4 Approved [25]
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Drug(s) Affected By Collagen alpha-1(I) chain (COL1A1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Penicillamine DM40EF6 Cystinuria 5C60.2 Approved [26]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [27]
Diazepam DM08E9O Alcohol withdrawal Approved [28]
Beta-carotene DM0RXBT Vitamin deficiency 5B55-5B71 Approved [29]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [30]
Methotrexate DM2TEOL Anterior urethra cancer Approved [31]
Ceruletide DM2WE5K Caerulein stimulated gastric and pancreatic secretion 5A4Y Approved [32]
Dactinomycin DM2YGNW Adult kidney Wilms tumor Approved [33]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [34]
Quercetin DM3NC4M Obesity 5B81 Approved [35]
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Drug(s) Affected By Collagen alpha-1(III) chain (COL3A1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [27]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [36]
Spironolactone DM2AQ5N Chronic heart failure BD1Z Approved [37]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [38]
Quercetin DM3NC4M Obesity 5B81 Approved [39]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [12]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [40]
Testosterone DM7HUNW Hot flushes GA30 Approved [41]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [42]
Aldosterone DM9S2JW Hypertension BA00-BA04 Approved [43]
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Drug(s) Affected By Stromelysin-1 (MMP3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [26]
Fluvastatin DM4MDJY Arteriosclerosis BD40 Approved [26]
Pravastatin DM6A0X7 Adult acute monocytic leukemia Approved [26]
Atorvastatin DMF28YC Acute coronary syndrome BA41 Approved [26]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [44]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [45]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [46]
Methotrexate DM2TEOL Anterior urethra cancer Approved [47]
Quercetin DM3NC4M Obesity 5B81 Approved [48]
Rofecoxib DM3P5DA Osteoarthritis FA00-FA05 Approved [49]
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Drug(s) Affected By Matrilysin (MMP7)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Methotrexate DM2TEOL Anterior urethra cancer Approved [50]
Quercetin DM3NC4M Obesity 5B81 Approved [51]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [52]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [53]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [42]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [54]
Propofol DMB4OLE Anaesthesia 9A78.6 Approved [55]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [56]
Clozapine DMFC71L Schizophrenia 6A20 Approved [57]
Fenofibrate DMFKXDY Coronary atherosclerosis Approved [58]
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Drug(s) Affected By Poly polymerase 1 (PARP1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [59]
Gefitinib DM15F0X Colon adenocarcinoma Approved [60]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [61]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [62]
Citalopram DM2G9AE Acute coronary syndrome BA41 Approved [63]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [64]
Imipramine DM2NUH3 Depression 6A70-6A7Z Approved [63]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [65]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [66]
Methotrexate DM2TEOL Anterior urethra cancer Approved [67]
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Drug(s) Affected By Cadherin-1 (CDH1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Beta-carotene DM0RXBT Vitamin deficiency 5B55-5B71 Approved [29]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [10]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [68]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [69]
Liraglutide DM3FXPS Non-insulin dependent diabetes 5A11 Approved [70]
Quercetin DM3NC4M Obesity 5B81 Approved [71]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [72]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [73]
Polyethylene glycol DM4I1JP Constipation DD91.1 Approved [74]
Panobinostat DM58WKG Chronic graft versus host disease Approved [13]
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Drug(s) Affected By Metalloproteinase inhibitor 2 (TIMP2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [75]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [76]
Selenium DM25CGV N. A. N. A. Approved [77]
Quercetin DM3NC4M Obesity 5B81 Approved [78]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [79]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [80]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [81]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [82]
Tetracaine DM9J6C2 Spinal anesthesia MB40.3 Approved [83]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [17]
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Drug(s) Affected By Cadherin-2 (CDH2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [84]
Quercetin DM3NC4M Obesity 5B81 Approved [71]
Rofecoxib DM3P5DA Osteoarthritis FA00-FA05 Approved [85]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [86]
Panobinostat DM58WKG Chronic graft versus host disease Approved [13]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [87]
Thalidomide DM70BU5 Adult T-cell leukemia/lymphoma Approved [88]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [89]
Testosterone DM7HUNW Hot flushes GA30 Approved [90]
Acocantherin DM7JT24 Atrial fibrillation BC81.3 Approved [91]
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Drug(s) Affected By Mitogen-activated protein kinase 3 (MAPK3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [92]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [93]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [94]
Sertraline DM0FB1J Coronary heart disease BA80.Z Approved [95]
Beta-carotene DM0RXBT Vitamin deficiency 5B55-5B71 Approved [96]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [97]
Secobarbital DM14RF5 Epilepsy 8A60-8A68 Approved [98]
Gefitinib DM15F0X Colon adenocarcinoma Approved [99]
Fexofenadine DM17ONX Allergic rhinitis CA08.0 Approved [100]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [101]
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Drug(s) Affected By Mitogen-activated protein kinase 1 (MAPK1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Ethanol DMDRQZU Chronic pain MG30 Approved [102]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [93]
Carvedilol DMHTEAO Chronic heart failure BD1Z Approved [103]
Paclitaxel DMLB81S Breast carcinoma Approved [104]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [105]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [92]
Urokinase DM0GOUD Myocardial infarction BA41-BA43 Approved [26]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [44]
Sertraline DM0FB1J Coronary heart disease BA80.Z Approved [95]
Beta-carotene DM0RXBT Vitamin deficiency 5B55-5B71 Approved [96]
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Drug(s) Affected By Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Selenium DM25CGV N. A. N. A. Approved [106]
TECFIDERA DM2OVDT Multiple sclerosis 8A40 Approved [107]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [108]
Cyclophosphamide DM4O2Z7 Advanced cancer 2A00-2F9Z Approved [109]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [110]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [111]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [112]
Gallium nitrate DMF9O6B Hypercalcaemia 5B91.0 Approved [113]
Trabectedin DMG3Y89 Leiomyosarcoma 2B58 Approved [114]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [115]
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Drug(s) Affected By Cyclin-dependent kinase inhibitor 1 (CDKN1A)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [116]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [117]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [118]
Gefitinib DM15F0X Colon adenocarcinoma Approved [119]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [120]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [121]
Etretinate DM2CZFA Keratosis ED56 Approved [122]
Prednisone DM2HG4X Acute asthma CA23 Approved [123]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [64]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [124]
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Drug(s) Affected By Actin, aortic smooth muscle (ACTA2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Methotrexate DM2TEOL Anterior urethra cancer Approved [125]
Quercetin DM3NC4M Obesity 5B81 Approved [20]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [108]
Panobinostat DM58WKG Chronic graft versus host disease Approved [126]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [127]
Pirfenidone DM6VZFQ Idiopathic pulmonary fibrosis CB03.4 Approved [128]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [129]
Testosterone DM7HUNW Hot flushes GA30 Approved [15]
Acocantherin DM7JT24 Atrial fibrillation BC81.3 Approved [130]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [15]
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Drug(s) Affected By Heat shock factor protein 1 (HSF1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [131]
SPI-1005 DM6XFHS Reperfusion injury ND56.Z Approved [5]
Imipramine DM2NUH3 Depression 6A70-6A7Z Approved [5]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [132]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [133]
Ceftazidime DM41GRA Bacteremia 1A73 Approved [5]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [108]
Chlorpheniramine DM5URA2 Allergic rhinitis CA08.0 Approved [5]
Ethacrynic acid DM60QMR Edema MG29 Approved [5]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [5]
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Drug(s) Affected By Protein naked cuticle homolog 2 (NKD2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Quercetin DM3NC4M Obesity 5B81 Approved [71]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [108]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [53]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [42]
Leflunomide DMR8ONJ Arthritis FA20 Approved [16]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [134]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [135]
Decitabine DMQL8XJ Acute myelogenous leukaemia 2A41 Approved [136]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [137]
Arsenic DMTL2Y1 N. A. N. A. Approved [138]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas
Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
COVID-19 papain-like proteinase (PL-PRO) TTNHMO8 R1AB_SARS2 (819-2763) Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Actin, aortic smooth muscle (ACTA2) OTEDLG8E ACTA_HUMAN Gene/Protein Processing [2]
Cadherin-1 (CDH1) OTFJMXPM CADH1_HUMAN Gene/Protein Processing [3]
Cadherin-2 (CDH2) OTH0Y56P CADH2_HUMAN Gene/Protein Processing [3]
Collagen alpha-1(I) chain (COL1A1) OTI31178 CO1A1_HUMAN Gene/Protein Processing [2]
Collagen alpha-1(III) chain (COL3A1) OTT1EMLM CO3A1_HUMAN Gene/Protein Processing [2]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [4]
Heat shock factor protein 1 (HSF1) OTYNJ4KP HSF1_HUMAN Gene/Protein Processing [5]
Matrilysin (MMP7) OTVT3SEJ MMP7_HUMAN Gene/Protein Processing [3]
Metalloproteinase inhibitor 2 (TIMP2) OT8S1RRP TIMP2_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Post-Translational Modifications [6]

References

1 Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9.
2 Functional and mechanistic investigation of Shikonin in scarring. Chem Biol Interact. 2015 Feb 25;228:18-27. doi: 10.1016/j.cbi.2014.12.037. Epub 2015 Jan 12.
3 Shikonin suppresses small cell lung cancer growth via inducing ATF3-mediated ferroptosis to promote ROS accumulation. Chem Biol Interact. 2023 Sep 1;382:110588. doi: 10.1016/j.cbi.2023.110588. Epub 2023 Jun 1.
4 Shikonin suppresses proliferation and induces cell cycle arrest through the inhibition of hypoxia-inducible factor-1 signaling. Chem Biol Interact. 2017 Aug 25;274:58-67. doi: 10.1016/j.cbi.2017.06.029. Epub 2017 Jul 3.
5 A Gene Expression Biomarker Predicts Heat Shock Factor 1 Activation in a Gene Expression Compendium. Chem Res Toxicol. 2021 Jul 19;34(7):1721-1737. doi: 10.1021/acs.chemrestox.0c00510. Epub 2021 Jun 25.
6 Shikonin attenuates lung cancer cell adhesion to extracellular matrix and metastasis by inhibiting integrin 1 expression and the ERK1/2 signaling pathway. Toxicology. 2013 Jun 7;308:104-12. doi: 10.1016/j.tox.2013.03.015. Epub 2013 Apr 4.
7 ClinicalTrials.gov (NCT04361422) Isotretinoin in Treatment of COVID-19. U.S. National Institutes of Health.
8 Crystal structure of SARS-CoV-2 papain-like protease. Acta Pharm Sin B. 2021 Jan;11(1):237-245.
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10 Manganese superoxide dismutase induces migration and invasion of tongue squamous cell carcinoma via H2O2-dependent Snail signaling. Free Radic Biol Med. 2012 Jul 1;53(1):44-50. doi: 10.1016/j.freeradbiomed.2012.04.031. Epub 2012 May 9.
11 Ciprofloxacin mediates cancer stem cell phenotypes in lung cancer cells through caveolin-1-dependent mechanism. Chem Biol Interact. 2016 Apr 25;250:1-11.
12 Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
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14 Endoplasmic reticulum stress contributes to arsenic trioxide-induced intrinsic apoptosis in human umbilical and bone marrow mesenchymal stem cells. Environ Toxicol. 2016 Mar;31(3):314-28.
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21 Retinoic acid receptor alpha amplifications and retinoic acid sensitivity in breast cancers. Clin Breast Cancer. 2013 Oct;13(5):401-8.
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40 Effects of aspirin on metastasis-associated gene expression detected by cDNA microarray. Acta Pharmacol Sin. 2004 Oct;25(10):1327-33.
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