BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 15 [TOP]

Compound ID

1109

Compound Structure

Plant Source

Allium sativum L. Common Name:Garlic (English), Lashuna (Sanskrit)

Source Family

Amaryllidaceae

Origin

India, Africa, Malaysia

Plant Part Used

Bulb

Extract

Water

Target Bacteria

Mycobacterium intracellulare

Assay / Test Done

Agar - Dilution Test

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

3350 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Allicin

PubChem ID

65036

Ethnomedicinal Information

Bronchitis, asthma, expectorant, cough, pulmonary phthisis, consumption, chronic diseases of lungs, whooping cough, laryngeal tuberculosis

PubMed ID [Source Literature]

4004189

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Disulfide

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

162.017

Molecular Formula

C₆H₁₀OS₂

SMILES

S(=O)(SCC=C)CC=C

XLogP

0.237

PSA

61.580

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) Delaha EC, Garagusi VF.Inhibition of mycobacteria by garlic extract (Allium sativum).Antimicrob Agents Chemother. 1985 Apr;27(4):485-6

Curator

Record - 2 of 15 [TOP]

Compound ID	1231
Compound Structure
Plant Source	Azadirachta indica A.juss. Common Name:Neem Tree, Margosa Tree (English), Nimba, Nimbaka (Sanskrit)
Source Family	Meliaceae
Origin	India, Kenya
Plant Part Used	Stem bark
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avian, Mycobacterium chelonae, Mycobacterium intracellulare, Mycobacterium tarrae
Assay / Test Done	Broth Dilution Assay
Positive Control Used (conc.)
Inhibition [%]	10 %
Activity [MIC] µg/ml	8000 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cough, asthma, consumption, phthisis, tuberculosis, anthelmintic, antiseptic. Used to treat chronic leprosy, skin diseases, intestinal worms, chronic malaria fevers, small pox, syphylictic sores
PubMed ID [Source Literature]	9533435
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84
Curator

Record - 3 of 15 [TOP]

Compound ID	1628
Compound Structure
Plant Source	Entada abyssinica A. Rich Common Name:Tree Entanda
Source Family	Fabaceae
Origin	Kenya
Plant Part Used	Stem
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium chelonae / chelonei, Mycobacterium terrae
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]	10 % of the inoculum of the five mycobacterial species at 2 mg/ml
Activity [MIC] µg/ml	0.5 - 4 mg/ml based on bacteria
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	9533435
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84
Curator

Record - 4 of 15 [TOP]

Compound ID

1738

Compound Structure

Plant Source

Ferula communis Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Saudi Arabia

Plant Part Used

Rhizome

Extract

Target Bacteria

Mycobacterium intracellulare

Assay / Test Done

Positive Control Used (conc.)

Amikacin (0.25 µg/ml), Streptomycin (10 µg/ml), Isoniazid (10 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

1.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

Anti-mycobacterial

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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) Mohammed A. Al-Yahya, Ilias Muhammad, Humayun H. Mirza, Farouk S. El-Feraly.Antibacterial constituents from the rhizomes of Ferula communis.Phytotherapy Research.12/1998;12(5):335-339

2) http://www.pfaf.org/user/Plant.aspx?LatinName=Ferula+communis

Curator

Record - 5 of 15 [TOP]

Compound ID

1739

Compound Structure

Plant Source

Ferula communis Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Saudi Arabia

Plant Part Used

Rhizome

Extract

Target Bacteria

Mycobacterium intracellulare

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferchromone

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Terpene, Sesquiterpene, Chromone, Prenylated, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

384.230

Molecular Formula

C₂₄H₃₂O₄

SMILES

C1c2c(ccc1)OC1C(C2=O)CC([C@@](O1)(CC/C=C(/CCC=C(C)C)C)C)O

XLogP

5.430

PSA

55.760

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 - 6 of 15 [TOP]

Compound ID	1843
Compound Structure
Plant Source	Harrisonia abyssinica Oliv Common Name:
Source Family	Simaroubaceae
Origin	Kenya
Plant Part Used	Root
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium chelonae / chelonei, Mycobacterium terrae
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	9533435
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84
Curator

Record - 7 of 15 [TOP]

Compound ID

1965

Compound Structure

Plant Source

Juniperus procera Hochst Common Name:Grecian Juniper

Source Family

Cupressaceae

Origin

India, Saudi Arabia

Plant Part Used

Leaf

Extract

Ethanol

Target Bacteria

Mycobacterium smegmatis, Mycobacterium intracellulare, Mycobacterium chelonae, Mycobacterium xenopi

Assay / Test Done

Positive Control Used (conc.)

Streptomycin (10 µg/ml), Isoniazid (10 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(+)-Ferruginol

PubChem ID

403773

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

10925394

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Meroterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

286.230

Molecular Formula

C₂₀H₃₀O

SMILES

Oc1cc2[C@@]3(C(C(CCC3)(C)C)CCc2cc1C(C)C)C

XLogP

8.211

PSA

20.230

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) I. Muhammad*, J.S. Mossa, F.S. El-Feraly.Antibacterial diterpenes from the leaves and seeds of Juniperus excelsa M. Bieb.Phytotherapy Research, Volume 6, Issue 5, pages 261–264, September/October 1992

2) Newton SM, Lau C, Wright CW.A review of antimycobacterial natural products.Phytother Res. 2000 Aug;14(5):303-22

3) http://www.pfaf.org/user/Plant.aspx?LatinName=Juniperus+excelsa

Curator

Record - 8 of 15 [TOP]

Compound ID

1968

Compound Structure

Plant Source

Juniperus procera Hochst Common Name:African Pencil Cedar, Cedar, East African Cedar, East African Pencil Cedar, Pencil Cedar

Source Family

Cupressaceae

Origin

Saudi Arabia

Plant Part Used

Bark

Extract

Chloroform

Target Bacteria

Mycobacterium intracellulare, Mycobacterium xenopi, Mycobacterium chelonae / chelonei, Mycobacterium smegmatis

Assay / Test Done

Positive Control Used (conc.)

Streptomycin (10 µg/ml), Isoniazid (10 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(+)-Totarol

PubChem ID

460178

Ethnomedicinal Information

Sore throat, chew fruits

PubMed ID [Source Literature]

10925394

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Terpene, Meroterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

286.230

Molecular Formula

C₂₀H₃₀O

SMILES

Oc1c(c2c([C@@]3(C(C(CCC3)(C)C)CC2)C)cc1)C(C)C

XLogP

8.211

PSA

20.230

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) Newton SM, Lau C, Wright CW.A review of antimycobacterial natural products.Phytother Res. 2000 Aug;14(5):303-22

2) http://www.worldagroforestrycentre.org/sea/Products/AFDbases/af/asp/SpeciesInfo.asp?SpID=1022

Curator

Record - 9 of 15 [TOP]

Compound ID	1985
Compound Structure
Plant Source	Lamium amplexicaule L Common Name:Goldenseal
Source Family	Lamiaceae
Origin	India
Plant Part Used	Whole plant
Extract	Ethanol (80 %)
Target Bacteria	Mycobacterium intracellulare
Assay / Test Done	Agar - Dilution Test
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	0.02 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)	3 mm, 7 mm
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Laxative, stimulant, diaphoretic, rheumatism, influenza
PubMed ID [Source Literature]
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Richardson M.D., Peterson J.R., Clark A.M. Bioactivity screenings of plants selected on the basis of folkloric use or presence of lignans in a family. Phytotherapy Research, Volume 6, Issue 5, pages 274–278, September/October 1992
Curator

Record - 10 of 15 [TOP]

Compound ID	2624
Compound Structure
Plant Source	Spilanthes mauritiana A. Rich. DC. Common Name:
Source Family	Asteraceae (Compositae)
Origin	Kenya
Plant Part Used	Root, flower
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium chelonae / chelonei, Mycobacterium terrae
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]	10 % of the inoculum of the five mycobacterial species at 2 mg/ml
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	9533435
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84
Curator

Record - 11 of 15 [TOP]

Compound ID	2716
Compound Structure
Plant Source	Terminalia spinosa Engl Common Name:Small - Leaved Terminalia (English), Musosahwai (Sanskrit)
Source Family	Combretaceae
Origin	Kenya
Plant Part Used	Stem
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium chelonae / chelonei, Mycobacterium terrae
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]	10% of the inoculum of the five mycobacterial species at 2 mg/ml
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	9533435
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84 2) http://www.zimbabweflora.co.zw/speciesdata/species.php?species_id=142190
Curator

Record - 12 of 15 [TOP]

Compound ID	2814
Compound Structure	N/A
Plant Source	Ximenia caffra Sond Common Name:Sourplum (English), Munhengeni, Mutengeni, Mutsvanzva (Sanskrit)
Source Family	Olacaceae
Origin	Kenya
Plant Part Used	Root
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium chelonae / chelonei, Mycobacterium terrae
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]	10% of the inoculum of the five mycobacterial species at 2 mg/ml
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Diarrhoea and dysentery, fever, cough, venereal diseases
PubMed ID [Source Literature]	9533435
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84 2) http://www.zimbabweflora.co.zw/speciesdata/species.php?species_id=121590
Curator

Record - 13 of 15 [TOP]

Compound ID

3553

Compound Structure

Plant Source

Colubrina retusa (Ditter) Common Name:

Source Family

Rhamnaceae

Origin

Venezuela

Plant Part Used

Stem

Extract

Target Bacteria

Mycobacterium intracellulare (ATCC 23068)

Assay / Test Done

OADC - Supplemented Middlebrook Broth

Positive Control Used (conc.)

Rifampin (0.3 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

10 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Jujubogenin 3 - O - α - L - Arabinofuranosyl (1-->2) - [3 - O - (Trans) - P - Coumaroyl - β - D - Glucopyranosyl (1-->3)] - α - L - Arabinopyranoside

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

10514332

Extract Preparation

Air dried stem were powdered, extracted at 37°C in ethanol, suspended in water and then again extracted with chloroform and then with butanol and finally evaporated to dryness to yield the compound

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Steroid, Pyran, Cinnamate, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1044.529

Molecular Formula

C₅₅H₈₀O₁₉

SMILES

C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)(C23C(CC1)C1C(C2)(OC(C[C@@]1(O)C)C=C(C)C)OC3)C)C)(C)C)OC1OC[C@@H]([C@@H]([C@@H]1OC1O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@@H]1OC([C@@H]([C@@H](C1O)OC(=O)/C=C/c1ccc(cc1)O)O)CO)O

XLogP

5.255

PSA

282.210

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) ElSohly HN, Danner S, Li XC, Nimrod AC, Clark AM.New antimycobacterial saponin from Colubrina retusa.J Nat Prod. 1999 Sep;62(9):1341-2

Curator

Farzana-shamsudeen, vikramjitmandal

Record - 14 of 15 [TOP]

Compound ID

4149

Compound Structure

Plant Source

Pimpinella sp. Common Name:

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium intracellulare, Mycobacterium smegmatis, Mycobacterium aurum, Mycobacterium phlei

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1.25-10 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC10

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

C[C@@H](CC)C(=O)Oc1ccc([C@@]2(C)O[C@@H]2C)cc1

XLogP

3.891

PSA

38.830

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) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120

Curator

Record - 15 of 15 [TOP]

Compound ID

4150

Compound Structure

Plant Source

Pimpinella sp. Common Name:

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium intracellulare, Mycobacterium smegmatis, Mycobacterium aurum, Mycobacterium phlei

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1.25-10 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC11

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

246.126

Molecular Formula

C₁₅H₁₈O₃

SMILES

C/C(=CC)/C(=O)Oc1ccc([C@@]2(C)O[C@@H]2C)cc1

XLogP

3.773

PSA

38.830

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

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