BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 14 [TOP]

Compound ID

1413

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75

Curator

Record - 2 of 14 [TOP]

Compound ID

1415

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 3 of 14 [TOP]

Compound ID

1417

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - strictosidine lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 4 of 14 [TOP]

Compound ID

1419

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 5 of 14 [TOP]

Compound ID

1533

Compound Structure

Plant Source

Coptis coinensia French Common Name:

Source Family

Ranunculaceae

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium phlei

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

1:800 dilution

Activity (Zone of inhibition in mm)

Active Compound Identified

Berberine bisulphate

PubChem ID

12457

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

14778141

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Isoquinoline, Sulphate

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

336.124

Molecular Formula

C₂₀H₁₉NO₈S

SMILES

S(=O)(=O)(O)[O-].O1c2cc3CC[n+]4c(c3cc2OC1)cc1c(c4)c(OC)c(OC)cc1

XLogP

2.896

PSA

40.800

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Wang VF.In vitro antibacterial activity of some common Chinese herbs on Mycobacteria tuberculosis.Chin Med J. 1950 May-Jun;68(5-6):169-72

Curator

Record - 6 of 14 [TOP]

Compound ID

1876

Compound Structure

Plant Source

Hydrastis canadensis Common Name:Goldenseal

Source Family

Ranunculaceae

Origin

North America

Plant Part Used

Root

Extract

Ethanol

Target Bacteria

Mycobacterium smegmatis (ATCC 607)

Assay / Test Done

Positive Control Used (conc.)

Streptomycin sulfate (1.56 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Berberine

PubChem ID

2353

Ethnomedicinal Information

Berberine has been demonstrated to reduce the infectivity of bacteria, fungi and protozoa in animals and humans by inhibiting the adherence of microorganisms to the host cells

PubMed ID [Source Literature]

9784149, 4906191

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Isoquinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

336.124

Molecular Formula

C₂₀H₁₈NO₄

SMILES

O1c2cc3CC[n+]4c(c3cc2OC1)cc1c(c4)c(OC)c(OC)cc1

XLogP

2.896

PSA

40.800

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gentry EJ, Jampani HB, Keshavarz-Shokri A, Morton MD, Velde DV, Telikepalli H, Mitscher LA, Shawar R, Humble D, Baker W.Antitubercular natural products: berberine from the roots of commercial Hydrastis canadensis powder. Isolation of inactive 8-oxotetrahydrothalifendine, canadine, beta-hydrastine, and two new quinic acid esters, hycandinic acid esters-1 and -2.J Nat Prod. 1998 Oct;61(10):1187-93

2) Amin AH, Subbaiah TV, Abbasi KM.Berberine sulfate: antimicrobial activity, bioassay, and mode of action.Can J Microbiol. 1969 Sep;15(9):1067-76

Curator

Record - 7 of 14 [TOP]

Compound ID

1877

Compound Structure

Plant Source

Hydrastis canadensis Common Name:Goldenseal

Source Family

Ranunculaceae

Origin

North America

Plant Part Used

Root

Extract

Ethanol

Target Bacteria

Mycobacterium bovis (BCG - Bacillus Calmette Guerin)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Berberine

PubChem ID

2353

Ethnomedicinal Information

Berberine has been demonstrated to reduce the infectivity of bacteria, fungi and protozoa in animals and humans by inhibiting the adherence of microorganisms to the host cells

PubMed ID [Source Literature]

9784149, 4906191

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Isoquinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

336.124

Molecular Formula

C₂₀H₁₈NO₄

SMILES

O1c2cc3CC[n+]4c(c3cc2OC1)cc1c(c4)c(OC)c(OC)cc1

XLogP

2.896

PSA

40.800

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 8 of 14 [TOP]

Compound ID

1878

Compound Structure

Plant Source

Hydrastis canadensis Common Name:Goldenseal

Source Family

Ranunculaceae

Origin

North America

Plant Part Used

Root

Extract

Ethanol

Target Bacteria

Mycobacterium avium complex

Assay / Test Done

Positive Control Used (conc.)

Streptomycin sulfate (6.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Berberine

PubChem ID

2353

Ethnomedicinal Information

Berberine has been demonstrated to reduce the infectivity of bacteria, fungi and protozoa in animals and humans by inhibiting the adherence of microorganisms to the host cells

PubMed ID [Source Literature]

9784149, 4906191

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Isoquinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

336.124

Molecular Formula

C₂₀H₁₈NO₄

SMILES

O1c2cc3CC[n+]4c(c3cc2OC1)cc1c(c4)c(OC)c(OC)cc1

XLogP

2.896

PSA

40.800

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 9 of 14 [TOP]

Compound ID

2635

Compound Structure

Plant Source

Stephania dinklagei Common Name:

Source Family

Menispermaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

3.125 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Liriodenin

PubChem ID

10144

Ethnomedicinal Information

Cough, stomach troubles, diarrhoea, dysentery

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Isoquinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

275.058

Molecular Formula

C₁₇H₉NO₃

SMILES

O1c2c3c4c(cc2OC1)ccnc4C(=O)c1c3cccc1

XLogP

3.275

PSA

48.420

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 10 of 14 [TOP]

Compound ID

2637

Compound Structure

Plant Source

Stephania dinklagei Common Name:

Source Family

Menispermaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Liriodenin

PubChem ID

10144

Ethnomedicinal Information

Cough, stomach troubles, diarrhoea, dysentery

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Isoquinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

275.058

Molecular Formula

C₁₇H₉NO₃

SMILES

O1c2c3c4c(cc2OC1)ccnc4C(=O)c1c3cccc1

XLogP

3.275

PSA

48.420

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 11 of 14 [TOP]

Compound ID

2639

Compound Structure

Plant Source

Stephania dinklagei Common Name:

Source Family

Menispermaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Liriodenin

PubChem ID

10144

Ethnomedicinal Information

Cough, stomach troubles, diarrhoea, dysentery

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Isoquinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

275.058

Molecular Formula

C₁₇H₉NO₃

SMILES

O1c2c3c4c(cc2OC1)ccnc4C(=O)c1c3cccc1

XLogP

3.275

PSA

48.420

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 12 of 14 [TOP]

Compound ID

2641

Compound Structure

Plant Source

Stephania dinklagei Common Name:

Source Family

Menispermaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Liriodenin

PubChem ID

10144

Ethnomedicinal Information

Cough, stomach troubles, diarrhoea, dysentery

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Isoquinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

275.058

Molecular Formula

C₁₇H₉NO₃

SMILES

O1c2c3c4c(cc2OC1)ccnc4C(=O)c1c3cccc1

XLogP

3.275

PSA

48.420

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 13 of 14 [TOP]

Compound ID

3395

Compound Structure

Plant Source

Hydrastis canadensis Common Name:

Source Family

Ranunculaceae

Origin

North America

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Agar Dilution - Streak Assay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Berberine

PubChem ID

2353

Ethnomedicinal Information

PubMed ID [Source Literature]

9828037

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Isoquinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

336.124

Molecular Formula

C₂₀H₁₈NO₄

SMILES

O1c2cc3CC[n+]4c(c3cc2OC1)cc1c(c4)c(OC)c(OC)cc1

XLogP

2.896

PSA

40.800

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Mitscher LA, Baker W.Tuberculosis: a search for novel therapy starting with natural products.Med Res Rev. 1998 Nov;18(6):363-74

Curator

Wvarsha, keyamukherjee, rachanake

Record - 14 of 14 [TOP]

Compound ID

4045

Compound Structure

Plant Source

Goniothalamus laoticus Common Name:

Source Family

Annonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(-)-nordicentrine

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Isoquinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

325.131

Molecular Formula

C₁₉H₁₉NO₄

SMILES

[C@@H]12NCCc3c2c(c2c(C1)cc(c(c2)OC)OC)c1c(c3)OCO1

XLogP

1.925

PSA

48.950

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

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