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Table 1 Indian Natural Products and reference compounds with the absolute value of the pairwise Pearson correlation coefficient |r| between their logGI50 values > 0.5

From: Pharmacogenomics of in vitro response of the NCI-60 cancer cell line panel to Indian natural products

NSC

Compound Name

Type (Ayurveda/Reference)

Plant Name/Reference Product Mechanism

logGI50 Dendrogram Subtree

Same subtree based on logLC50 vs logGI50

Same subtree based on TGI vs logGI50

15384

Ricinus communis

Ayurveda

Ricinus communis (Castor)

Not included in clustering

Not included in clustering

Not included in clustering

740

Methotrexate

Reference

antimetabolite

Subtree 1

No

No

58514

Chromomycin A3

Reference

antitumor antibiotics

Subtree 1

Yes

Yes

332596

Rhizoxin

Reference

antitumor antibiotics

Subtree 1

No

Yes

332598

Rhizoxin

Reference

antitumor antibiotics

Subtree 1

Yes

Yes

143925

Pekilocerin A

Ayurveda

Calotropis (Madar)

Subtree 1

Yes

Yes

144153

Datiscoside

Ayurveda

Cordia dichotoma (Indian Cherry)

Subtree 1

No

No

49451

Curcubitacin B

Ayurveda

Cucurbitae family

Subtree 1

No

Yes

94743

Cucurbitacin A

Ayurveda

Cucurbitae family

Subtree 1

Yes

No

106399

Cucurbitacin E

Ayurveda

Cucurbitae family

Subtree 1

Yes

Yes

112167

Elatericin B

Ayurveda

Cucurbitae family

Subtree 1

Yes

Yes

308606

Cucurbitacin D

Ayurveda

Cucurbitae family

Subtree 1

No

No

521777

Elatericin B

Ayurveda

Cucurbitae family

Subtree 1

No

No

352122

Trimetrexate

Reference

antimetabolite

Subtree 1

No

No

139105

Soluble Baker's Antifol

Reference

antimetabolite

Subtree 1

No

No

123127

Doxorubicin (Adriamycin)

Reference

antitumor antibiotic

Subtree 1

No

No

337766

Bisantrene hydrochloride

Reference

antitumor antibiotic

Subtree 1

Yes

Yes

49842

Vinblastine sulfate

Reference

mitotic inhibitor

Subtree 1

Yes

Yes

67574

Vincristine sulfate

Reference

mitotic inhibitor

Subtree 1

No

No

90636

Vinleurosine Sulfate

Reference

mitotic inhibitor

Subtree 1

No

No

125973

Paclitaxel (Taxol)

Reference

mitotic inhibitor

Subtree 1

No

No

153858

Maytansine

Reference

mitotic inhibitor

Subtree 1

No

Yes

141537

Anguidine

Reference

not defined

Subtree 1

Yes

Yes

165563

Bruceantin

Reference

antitumor antibiotic

Subtree 1

Yes

Yes

325319

Didemnin B

Reference

Protein synthesis inhibitor

Subtree 1

Yes

Yes

328426

Phyllanthoside

Ayurveda

Phyllanthus genus

Subtree 1

Yes

Yes

342443

S3'-desacetyl-Phyllanthoside

Ayurveda

Phyllanthus genus

Subtree 1

No

Yes

3053

Actinomycin D

Reference

antitumor antibiotic

Subtree 1

Yes

Yes

19912

Cryptopleurine

Ayurveda

Tylophora Alkaloids

Subtree 1

Yes

Yes

76387

Tylophorin

Ayurveda

Tylophora Indica

Subtree 1

No

Yes

717335

Tylophorin

Ayurveda

Tylophora Indica

Subtree 1

No

Yes

375575

Cyclopentenylcytosine

Reference

antimetabolite

Subtree 1

No

No

156236

Achillin

Ayurveda

Achillea odorata (Yarrow)

Subtree 2

Yes

Yes

710351

Achilleol A

Ayurveda

Achillea odorata (Yarrow)

Subtree 2

Yes

Yes

26428

Esculetin

Ayurveda

Aesculus Hippocastanum (Horse Chestnut)

Subtree 2

Yes

Yes

750

Busulfan

Reference

alkylator

Subtree 2

Yes

Yes

344007

Piperazine alkylator

Reference

alkylator

Subtree 2

Yes

Yes

353451

Mitozolamide

Reference

alkylator

Subtree 2

Yes

Yes

409962

BCNU

Reference

alkylator

Subtree 2

Yes

Yes

227189

Aloin

Ayurveda

Aloe (Kumariasava)

Subtree 2

Yes

Yes

5605

Benzalacetone

Ayurveda

Alpinia Galanga (Asian Ginger)

Subtree 2

Yes

Yes

139490

Emofolin sodium

Reference

antimetabolite

Subtree 2

No

No

224131

PALA

Reference

antimetabolite

Subtree 2

No

No

731917

Calendulaglycoside B

Ayurveda

Calendula officinalis (pot marigold)

Subtree 2

Yes

Yes

62794

Beta carotene

Ayurveda

Daucas carota (Carrot)

Subtree 2

Yes

Yes

2819

Cianidol

Ayurveda

Catechin (Bergenia ciliate)

Subtree 2

Yes

Yes

643032

M-Phenoxy-alpha-phenylcinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643033

P-Acetoxy-alpha-diethylphosphono-cinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643160

3-Bromo-4-dimethylamino-alpha-benzoyl cinnamonitrite

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643167

3,4-Methylenedioxy-alpha-benzoyl cinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643181

3,4,5-Trimethoxy-alpha-benzoyl cinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643183

3-Methoxy-4-hydroxy-alpha-benzoylcinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643185

3,5-Dimethoxy-alpha-phenylcinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643190

3-Methoxy-4-benzyloxy-alpha-benzoylcinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643764

O-Methoxy-alpha-benzoylcinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

643772

O-Fluoro-alpha-benzoyl cinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 2

Yes

Yes

184734

Cucurbitacin I

Ayurveda

Cucurbitae family

Subtree 2

Yes

Yes

682343

Curcumenol

Ayurveda

Curcuma zedoaria (White turmeric)

Subtree 2

Yes

Yes

327430

Resveratrol

Ayurveda

Darakchasava (Vitis vinifera)

Subtree 2

Yes

Yes

285115

DQ1

Ayurveda

Datura

Subtree 2

Yes

Yes

90487

Lupeol

Ayurveda

Hemidesmus indicus (Indian Sarsaparilla)

Subtree 2

Yes

Yes

57197

Caffeic Acid

Ayurveda

Honey, coffee

Subtree 2

Yes

Yes

32065

Hydroxyurea

Reference

ribonucleotide reductase inhibitor

Subtree 2

No

No

51143

IMPY

Reference

ribonucleotide reductase inhibitor

Subtree 2

No

No

253272

Caracemide

Reference

ribonucleotide reductase inhibitor

Subtree 2

Yes

Yes

291643

Pyrimidine-5-glycodialdehyde

Reference

ribonucleotide reductase inhibitor

Subtree 2

Yes

Yes

118994

Diglycoaldehyde

Reference

antimetabolite

Subtree 2

No

No

126849

3-deazauridine

Reference

antimetabolite

Subtree 2

No

No

218321

2'-deoxycoformycin

Reference

antimetabolite

Subtree 2

Yes

Yes

37364

O6-methylguanine

Reference

antimetabolite

Subtree 2

Yes

Yes

322921

Pibenzimol hydrochloride

Reference

topoisomerase inihibitor

Subtree 2

Yes

Yes

73754

Fluorodopan

Reference

alkylator

Subtree 2

Yes

Yes

303861

L-cysteine analogue

Reference

inhibitory amino acid analog

Subtree 2

Yes

Yes

844

Nesol

Ayurveda

Limonene (Citrus)

Subtree 2

Yes

Yes

368675

Azadirachtin

Ayurveda

Azadiractha indica (Neem)

Subtree 2

Yes

Yes

150014

Hydrazine sulfate

Reference

not defined

Subtree 2

No

No

293015

Flavone acetic acid ester

Reference

not defined

Subtree 2

Yes

Yes

343513

Dihydrolenperone

Reference

not defined

Subtree 2

Yes

Yes

407300

Crocetin

Ayurveda

Saffron

Subtree 2

Yes

Yes

178886

Paeony root

Ayurveda

Paeonia officinalis (Peony)

Subtree 2

Yes

Yes

619043

Phyllanthin

Ayurveda

Phyllanthus genus

Subtree 2

Yes

Yes

619044

Hypophyllanthin

Ayurveda

Phyllanthus genus

Subtree 2

Yes

Yes

9219

Quertine

Ayurveda

Phyllanthus genus

Subtree 2

Yes

Yes

7212

Alizarin

Ayurveda

Rubia cordifolia (Red madder)

Subtree 2

Yes

Yes

8096

Harzol

Ayurveda

Saraca asoca (Ashoka)

Subtree 2

Yes

Yes

284356

Mitindomide

Reference

topoisomerase inihibitor

Subtree 2

Yes

Yes

22842

Cumostrol

Ayurveda

Trifolium pratense (Red clover)

Subtree 2

Yes

Yes

407290

Myricitin

Reference

not defined

Subtree 2

Yes

Yes

79037

CCNU

Reference

alkylator

Subtree 3

No

No

95441

Methyl-CCNU

Reference

alkylator

Subtree 3

No

No

167780

Asaley

Reference

alkylator

Subtree 3

No

Yes

330500

Macbecin II

Reference

antitumor antibiotics

Subtree 3

Yes

Yes

113497

Gedunine

Ayurveda

Azadirachta indica (Neem)

Subtree 3

No

No

309909

Nimbolide

Ayurveda

Azadirachta indica (Neem)

Subtree 3

Yes

Yes

87868

Phenethyl mustard oil

Ayurveda

Brasicaceae and Fabaceae (Watercress)

Subtree 3

Yes

Yes

708791

Bulbophyllanthrone

Ayurveda

Bulbophyllum odaratissimum (Orchid)

Subtree 3

Yes

Yes

652892

Butein

Ayurveda

Butea monosperma (Palash)

Subtree 3

No

No

731920

Calendulaglycoside B-6'-O-butyl ester

Ayurveda

Calendula officinalis (Pot marigold)

Subtree 3

No

No

731921

Calendulaglycoside D2

Ayurveda

Calendula officinalis (Pot marigold)

Subtree 3

Yes

Yes

731922

Calendulaglycoside D-6'-O-methyl ester

Ayurveda

Calendula officinalis (Pot marigold)

Subtree 3

Yes

Yes

26727

Cycvalon

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

Yes

Yes

643023

Alpha-Phenyl-2,5-dimethoxy-alpha-cinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 3

No

No

643769

O-Bromo-alpha-benzoyl cinnamonitrile

Ayurveda

Cinnamonum (Cinnamon)

Subtree 3

No

No

112166

Cucurbitacin K

Ayurveda

Cucurbitae family

Subtree 3

No

Yes

742019

Ethoxycurcumin tribenzimidazolmethylcarbonte

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

Yes

Yes

742020

Ethoxycurcumin trithiadiazolaminomethylcarbonte

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

Yes

Yes

742021

Curcumin tri adamantylaminoethylcarbonate

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

No

No

742022

Curcumin tri trithiadiazolaminoethylcarbonate

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

Yes

Yes

752571

Curcumin-difluorinated (CDF)

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

Yes

Yes

705537

Daturaolone

Ayurveda

Datura metel (Datura)

Subtree 3

No

No

119875

Cisplatin

Reference

alkylator

Subtree 3

No

Yes

271674

Carboxyphthalatoplatinum

Reference

alkylator

Subtree 3

No

No

102816

5-azacytidine

Reference

DNA methyltransferase inhibitor

Subtree 3

No

Yes

91874

Emberine

Ayurveda

Embelia Ribes (False black pepper)

Subtree 3

No

Yes

180973

Tamoxifen

Reference

Estrogen receptor binder

Subtree 3

Yes

Yes

365798

Piceatannol

Ayurveda

Vitis vinifera (Grapes)

Subtree 3

No

No

674038

Gallocatechin

Ayurveda

Punica granatum (Pomegranate)

Subtree 3

No

No

383468

Andrographolide

Ayurveda

Andrographis Paniculata (Green chiretta)

Subtree 3

No

No

303812

Aphidicolin glycinate

Reference

DNA polymerase inhibitor

Subtree 3

No

No

133100

Rifamycin SV

Reference

inhibit DNA-dependent RNA polymerase

Subtree 3

No

No

83265

S-trityl-L-cysteine

Reference

mitotic inhibitor

Subtree 3

No

No

236613

Plumbagin

Ayurveda

Plumbago zeylanica (Chitrak)

Subtree 3

Yes

Yes

104801

Cytembena

Reference

antimetabolite

Subtree 3

No

No

163501

AT-125 (acivicin)

Reference

antimetabolite

Subtree 3

No

No

19893

5-fluorouracil

Reference

antimetabolite

Subtree 3

No

No

126771

Dichloroallyl lawsone

Reference

antimetabolite

Subtree 3

No

No

368390

DUP785 (brequinar)

Reference

antimetabolite

Subtree 3

No

No

77037

D-tetrandrine

Reference

not defined

Subtree 3

Yes

Yes

7616

Aconitic acid

Ayurveda

Saccharum officinarum (sugarcane)

Subtree 3

No

No

32982

Curcumin

Ayurveda

Curcuma genus (Turmeric)

Subtree 3

No

No

237020

Largomycin

Reference

not defined

Subtree 4

Yes

Yes

326231

L-Buthionine sulfoximine

Reference

not defined

Subtree 4

No

No

  1. The column labeled Plant Name/Reference Product Mechanism shows the main mechanism of action of reference products and taxonomy for Ayurvedic compounds. More than one plant may contain the compound of interest
  2. Cmpd: compound
  3. logGI50 Dendrogram Subtree: shows subtree assignment of an INP or reference compound based on the clustering of logGI50 values
  4. Same subtree based on logLC50 vs logGI50: indicates whether an INP or a reference compound showed a similar clustering with other INPs and compounds based on logLC50 values and was assigned to the subtree with the same number as compared to the subtree assignment based on logGI50 values
  5. Same subtree based on TGI vs logGI50: indicates whether an INP or a reference compound showed a similar clustering with other INPs and compounds based on the total growth inhibition (TGI) values and was assigned to the subtree with the same number as compared to the subtree assignment based on logGI50 values
  6. The product of the Ricinus communis (NSC 15384) was not included in the clustering analysis as its concentration units were different from those for other INPs
  7. Clustering based on logGI50 is presented graphically in Fig. 2 and Supplementary Fig. 1. Clustering based on logLC50 and TGI is presented in Supplementary Figs. 2 and 3, respectively. Detailed comparison of differences among clustering based on different response measures is provided in Supplementary Table 5
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BMC Cancer

ISSN: 1471-2407

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