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Center for Computational Systems Medicine
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Dataset summary

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Drug summary

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Umap of single cell types and conditions (resistant and sensitive)

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Comparison of cell composition between the resistant and sensitive groups (This dataset does not contain this module)

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Comparison of intra-tumor heterogeneity (ITH) and epithelial-mesenchymal transition (EMT) scores of malignant cells between the resistant and sensitive groups

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Difference of cell-cell interactions between the resistant and sensitive groups (This dataset does not contain this module)

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples (This dataset does not contain this module)

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples (This dataset does not contain this module)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for Malignant cells

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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

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Differentially expressed genes act as transcription factors

Dataset: GSE164897_VemTra

Dataset summary for GSE164897_VemTra

Datast informationDatasetGSE164897_VemTra
PMID34591417
Raw data ID/linkPRJNA692421
OrganismHomo sapiens
SourceA375 cell line
TissueCell line
Cancer type level1Melanoma
Cancer type level2B+E2:E57RAFV600E-mutant melanoma
Regimenvemurafenib + trametinib
Drug typeTargeted therapy
Sample sizeresistant 1, sensitive 1
Cell number15718
Extract protocol10x genomics
Data processingCellRanger
Public datePublic on Jan 16, 2021
DescriptionThis dataset has 1 cell line with a sensitive pre-treatment sample and a resistant post-treatment sample.

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Drug summary for GSE164897_VemTra

Drug nameDrugBank IDDrug typeTargets nameTargets uniprot ID
"Vemurafenib"

DB08881

small moleculeBRAFP15056
"Trametinib"

DB08911

small moleculeMAP2K1; MAP2K2Q02750; P36507

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Umap of single cell types and conditions (resistant and sensitive)

check buttonUmap of cell types and conditions (resistant and sensitive). If this dataset has both pre-treatment and post-treatment samples, the cell types were annotated together. If this dataset is a cell line dataset, the UMAP of cell clusters and the cell ratio of drug-resistant and sensitive groups within each cluster will also be shown. (If the image exists, the user can click on it to enlarge it in a new window.)
Umap of cell typesboxplotUmap of conditionsboxplot
Umap of cell clustersboxplotCell ratio of drug-resistant and sensitive groups within each clusterboxplot

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Comparison of cell composition between the resistant and sensitive groups

check buttonIn the pre-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference.
(If the image exists, the user can click on it to enlarge it in a new window.)

check buttonIn the post-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference.
(If the image exists, the user can click on it to enlarge it in a new window.)

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Comparison of ITH and EMT scores of malignant cells between the resistant and sensitive groups

check buttonComparison of ITH (intra-tumoral heterogeneity) and EMT (epithelial-mesenchymal transition) scores of malignant cells between the resistant and sensitive groups. ITH represents intratumoral heterogeneity, EMT represents epithelial mesenchymal transition, pre represents pre-treatment, post represents post-treatment, post2 represents longer post-treatment. (If the image exists, the user can click on it to enlarge it in a new window.)
Comparison of ITH scoresboxplotComparison of EMT scoresboxplot

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Difference of cell-cell interactions between the resistant and sensitive groups

check buttonIn the pre-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonIn the post-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

check buttonIn the pre-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

check buttonIn the post-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The following are differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.
Gene symbolGene idavg_log2FCp_valp_val_adjpct.1pct.2Cell typeTimepoint

NEAT1

ENSG000002455323.655850.00e+000.00e+0010.473Malignant cellsNA

FTL

ENSG000000870863.607790.00e+000.00e+0010.995Malignant cellsNA

SCG5

ENSG000002776143.165780.00e+000.00e+000.9780.12Malignant cellsNA

SPANXB1

ENSG000002272342.258970.00e+000.00e+000.9760.275Malignant cellsNA

MYL6

ENSG000000928412.213830.00e+000.00e+0010.806Malignant cellsNA

B2M

ENSG000002736861.996680.00e+000.00e+0010.96Malignant cellsNA

MT-ND1

ENSG000001988881.933470.00e+000.00e+0010.994Malignant cellsNA

SRP14

ENSG000001403191.714460.00e+000.00e+0010.981Malignant cellsNA

THBS1

ENSG000001378011.658650.00e+000.00e+000.670.089Malignant cellsNA

MGST1

ENSG000000083941.615850.00e+000.00e+000.8730.372Malignant cellsNA

HINT1

ENSG000001695671.613580.00e+000.00e+0010.989Malignant cellsNA

DYNLL1

ENSG000000889861.601950.00e+000.00e+000.9910.789Malignant cellsNA

TXNIP

ENSG000002659721.600040.00e+000.00e+000.7580.076Malignant cellsNA

SPARC

ENSG000001131401.422410.00e+000.00e+000.9750.603Malignant cellsNA

RPL41

ENSG000002291171.418950.00e+000.00e+0011Malignant cellsNA

NDUFA4

ENSG000001890431.388530.00e+000.00e+000.9980.92Malignant cellsNA

SPANXC

ENSG000001985731.314250.00e+000.00e+000.6620.098Malignant cellsNA

TMSB4X

ENSG000002055421.29570.00e+000.00e+000.970.722Malignant cellsNA

ATP6V0E1

ENSG000001137321.266760.00e+000.00e+000.7620.303Malignant cellsNA

TXNRD1

ENSG000001984311.260360.00e+000.00e+000.6430.082Malignant cellsNA

PFDN5

ENSG000001233491.257560.00e+000.00e+000.9990.954Malignant cellsNA

HLA-B

ENSG000002064501.245980.00e+000.00e+000.7980.335Malignant cellsNA

RPS23

ENSG000001864681.241010.00e+000.00e+0011Malignant cellsNA

MGST3

ENSG000001431981.232970.00e+000.00e+000.7160.261Malignant cellsNA

RPS20

ENSG000000089881.224680.00e+000.00e+0011Malignant cellsNA

RPS11

ENSG000001425341.221130.00e+000.00e+0011Malignant cellsNA

C4orf3

ENSG000001640961.220880.00e+000.00e+000.740.207Malignant cellsNA

PAGE5

ENSG000001586391.205120.00e+000.00e+000.9890.863Malignant cellsNA

LAMTOR5

ENSG000001342481.204780.00e+000.00e+000.8930.551Malignant cellsNA

MT-CO3

ENSG000001989381.200620.00e+000.00e+0011Malignant cellsNA

RPS10

ENSG000001246141.193720.00e+000.00e+0010.985Malignant cellsNA

VMP1

ENSG000000627161.183380.00e+000.00e+000.7170.194Malignant cellsNA

COX4I1

ENSG000001311431.161310.00e+000.00e+0010.996Malignant cellsNA

MT-ATP6

ENSG000001988991.160840.00e+000.00e+0010.992Malignant cellsNA

ATP5MG

ENSG000001672831.148890.00e+000.00e+000.9990.977Malignant cellsNA

BRK1

ENSG000002549991.124140.00e+000.00e+000.940.684Malignant cellsNA

UBB

ENSG000001703151.11820.00e+000.00e+000.9790.822Malignant cellsNA

COX14

ENSG000001784491.115290.00e+000.00e+000.8390.485Malignant cellsNA

ATP5MC1

ENSG000001591991.10930.00e+000.00e+000.8990.598Malignant cellsNA

COX6B1

ENSG000001262671.098340.00e+000.00e+000.9980.926Malignant cellsNA

RPL7A

ENSG000002808581.092640.00e+000.00e+0011Malignant cellsNA

COX7C

ENSG000001271841.082090.00e+000.00e+0010.999Malignant cellsNA

NEDD8

ENSG000002852461.079430.00e+000.00e+000.9240.675Malignant cellsNA

SKP1

ENSG000001135581.070420.00e+000.00e+000.9080.749Malignant cellsNA

MMP2

ENSG000000872451.064950.00e+000.00e+000.6470.154Malignant cellsNA

RPL36AL

ENSG000001655021.060270.00e+000.00e+000.9610.757Malignant cellsNA

PPP1CB

ENSG000002136391.017570.00e+000.00e+000.5830.165Malignant cellsNA

NDUFS5

ENSG000001686531.00840.00e+000.00e+000.9730.825Malignant cellsNA

MT-ND4

ENSG000001988861.00840.00e+000.00e+0011Malignant cellsNA

NBDY

ENSG000002042720.967550.00e+000.00e+000.730.372Malignant cellsNA
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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples

check buttonEnrichment results for 5 known drug-resistant mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window.Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples

check buttonEnrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Enrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells are shown here.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)
Enrichment results for 5 known drug resistance mechanisms in malignant cells
boxplot
MechnismPvalFDRSignatureGenesetOverlapBackgroundCell typeEnriched Genes
Unusual Activation of Pro-survival Pathway3.90e-062.00e-0514807818223467Malignant cellsBAX,CDK4,CTNNB1,DNMT1,DUSP6,GSTP1,HMGA1,HMGA2,HMGB1,PKM,MAP1LC3B,NFKB1,PARP1,RHOA,S100A4,SHC1,ST3GAL4,SOX4,STMN1,SLC25A5,AKAP12,ALDH1A3,ATG3,BAD,BID,BRD4,CCND1,CD44,HSPD1,CLTC,CAPNS1,DDIT3,EIF3A,HSP90B1,ERCC1,FTL,FUS,GAPDH,NR3C1,HSPA8,HSPB1,EIF4A1,IL24,KDM5B,LDHA,MTDH,MAGEA3,NQO1,PGK1,AGPAT2,POMP,PRKDC,PSMB5,PSMG2,RAC1,RAP1B,ERBB3,RRM2,HNRNPA1,SDHB,SMC4,SRI,SOX10,SRSF2,STAT3,TGFA,TGFB2,TMED3,TMEM54,TOP1,UBE2C,YBX1,ENO1,MAGEA4,GNAS,CALR,NPM1,EIF4EBP1,PPP3CA,PMVK,TRIB3,BIRC2
Drug Inactivation by Structure Modification2.40e-016.00e-01148027323467Malignant cellsGSTP1,GSS,NME1
Irregularity in Drug Uptake and Drug Efflux6.90e-011.00e+00148037223467Malignant cellsSLC3A2,SLC7A5
Aberration of the Drug's Therapeutic Target8.30e-011.00e+00148090423467Malignant cellsCDK4,NPM1,COMT,TOP2A
Epigenetic Alteration of DNA, RNA or Protein1.00e+001.00e+0014804551323467Malignant cellsDNMT1,EIF4G2,LMNA,TRIP6,PMAIP1,GAPDH,SMC4,TIMP1,MALAT1,GDI2,PPP1R15A,MT-CO2,NORAD


check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)
Up-regulated HallmarkUp-regulated KEGGUp-regulated GO BP

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check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)
Down-regulated HallmarkDown-regulated KEGGDown-regulated GO BP

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for malignant cells

check buttonIn the pre-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

check buttonIn the post-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. Here only the names of miRNAs with a score greater than 80 are shown, but some names will not be shown because of too many overlaps. If the gene does not have any miRNAs with a score greater than 90, it will not be shown. (Complete files containing all datasets and cell types can be downloaded from the download section.)
Regulating up-regulated DEGs in resistant groupRegulating down-regulated DEGs in resistant group
boxplotboxplot

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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

check buttonIn the pre-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

check buttonIn the post-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)
Motifs and TFs regulating up-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motifhdpi__TP735.090.0783TP73 (directAnnotation). Malignant cells
motifmetacluster_141.44.770.0751GLIS2 (directAnnotation). Malignant cells
motifswissregulon__hs__ETV64.220.0695ETV6 (directAnnotation). Malignant cells
motifhocomoco__TYY2_HUMAN.H11MO.0.D4.110.0683YY2 (directAnnotation). Malignant cells
motiftransfac_pro__M061354.070.068ZNF28 (directAnnotation). Malignant cells
motifmetacluster_141.64.010.0673MZF1; TAF1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY2; YY2; ZFP42; ZFP42; ZFP42; ZFP42; ZFP42; ZFP42; ZNF597 (directAnnotation). TAF1; TAF1L (inferredBy_Orthology). Malignant cells
motifflyfactorsurvey__pho_SOLEXA_F1-33.810.0653YY1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ETV5_HOXA2_RSCGGWAATKR_CAP3.540.0626ETV5; HOXA2 (directAnnotation). Malignant cells
motifmetacluster_155.33.470.0619PLAG1 (directAnnotation). PLAG1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ELK1_TEF_NSCGGAWNTTACGTAAN_CAP3.270.0598ELK1; TEF (directAnnotation). Malignant cells
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Motifs and TFs regulating down-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motiftaipale_tf_pairs__ETS2_RCCGGAAGTG_HT8.660.0737ETS2 (directAnnotation). Malignant cells
motiftransfac_pro__M048267.510.0667EP300 (directAnnotation). Malignant cells
motifjaspar__MA1483.26.570.061ELF2 (directAnnotation). Malignant cells
motifhdpi__FLI16.320.0595FLI1 (directAnnotation). Malignant cells
motifmetacluster_191.36.250.0591EHF; ELF1; ELF1; ELF1; ELF4; ELK1; ELK3; ELK3; ELK4; ELK4; ERF; ETS1; ETS2; ETV3; ETV4; ETV5; FEV; FEV; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; SPDEF; ZNF200 (directAnnotation). ELK1; ELK1; ELK3; ELK3; ELK4; ELK4; ETV1; ETV1; ETV4; ETV4; ETV4; ETV5; GABPA; GABPA (inferredBy_Orthology). Malignant cells
motifmetacluster_191.26.150.0584ELK4; NR2C2; NR2C2; NR2C2; NR2C2 (directAnnotation). GABPA (inferredBy_Orthology). Malignant cells
motifmetacluster_166.25.860.0567ELK4; ETS1; ETS1; ETV1; ETV3; ETV4; ETV5; ETV7 (directAnnotation). GABPA (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ELF2_NATGCGGAAGTR_HT5.760.0561ELF2 (directAnnotation). Malignant cells
motifmetacluster_166.45.730.0559BCLAF1; EHF; ELF1; ELF1; ELF1; ELF1; ELF1; ELF1; ELF2; ELF2; ELF4; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK3; ELK3; ELK3; ELK3; ELK4; ERG; ERG; ERG; ERG; ETS1; ETS1; ETS1; ETS1; ETS1; ETV1; ETV1; ETV1; ETV1; ETV2; ETV3; ETV4; ETV4; ETV4; ETV4; ETV4; ETV5; ETV7; FEV; FEV; FLI1; FLI1; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; GABPB1; GATAD1; PHF20; ZBTB25; ZBTB40 (directAnnotation). EHF; ELF1; ELF1; ELF3; ELF5; ELK3; ELK4; ERG; ETS1; ETV1; ETV2; ETV4; FLI1; GABPA; GABPA (inferredBy_Orthology). Malignant cells
motifjaspar__MA1933.15.610.0551SREBF2 (directAnnotation). Malignant cells
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Differentially expressed genes act as transcription factors

check buttonThis table shows the differentially expressed genes that act as transcription factors. (Complete files can be downloaded from the download section.)
TFmotifExpressionCell typeTimepoint

ETV4

metacluster_191.3downMalignant cellsNA

ETV4

metacluster_166.2downMalignant cellsNA

ETV4

metacluster_166.4downMalignant cellsNA

ETV4

taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAPdownMalignant cellsNA

ETV4

hdpi__ETV4downMalignant cellsNA

ETV4

taipale_tf_pairs__FOXO1_ETV4_RCCGGAWGTKKN_CAPdownMalignant cellsNA

ETV4

metacluster_138.2downMalignant cellsNA

ETV4

taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAPdownMalignant cellsNA

ETV4

taipale_tf_pairs__GCM1_ETV4_RTGCGGGCGGAAGTR_CAPdownMalignant cellsNA
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1"Sun X, Zhang Y, Li H, Zhou Y, Shi S, Chen Z, He X, Zhang H, Li F, Yin J, Mou M, Wang Y, Qiu Y, Zhu F. DRESIS: the first comprehensive landscape of drug resistance information. Nucleic Acids Res. 2023 Jan 6;51(D1):D1263-D1275. doi: 10.1093/nar/gkac812. PMID: 36243960; PMCID: PMC9825618."
2"Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z, Assempour N, Iynkkaran I, Liu Y, Maciejewski A, Gale N, Wilson A, Chin L, Cummings R, Le D, Pon A, Knox C, Wilson M. DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. doi: 10.1093/nar/gkx1037. PMID: 29126136; PMCID: PMC5753335."