BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 11 [TOP]

Compound ID	2201
Compound Structure
Plant Source	Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)
Source Family	Rubiaceae
Origin	Malaysia, India
Plant Part Used	Fruit
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Colorimetric Tetrazolium Microplate Assay (TEMA)
Positive Control Used (conc.)	Isoniazid (0.078 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders
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) Chin, W.Y., 2002. A Guide to Medicinal Plants. Singapore Science Centre, Singapore 2) http://www.motherherbs.com/morinda-citrifolia.html
Curator

Record - 2 of 11 [TOP]

Compound ID	2202
Compound Structure
Plant Source	Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)
Source Family	Rubiaceae
Origin	Malaysia, India
Plant Part Used	Leaf
Extract	Ethanol, hexane
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Broth dilution assay using BACTEC system
Positive Control Used (conc.)	Rifampin (0.125 µg/ml)
Inhibition [%]	89 and 95 %
Activity [MIC] µg/ml	100 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders
PubMed ID [Source Literature]	12410555
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) Saludes JP, Garson MJ, Franzblau SG, Aguinaldo AM.Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).Phytother Res. 2002 Nov;16(7):683-5 2) http://www.motherherbs.com/morinda-citrifolia.html
Curator

Record - 3 of 11 [TOP]

Compound ID

2203

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Malaysia, India

Plant Part Used

Leaf

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Broth dilution assay using BACTEC system

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude: 89% and Hexane: 95 %

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(E)-Phytol

PubChem ID

5280435

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Diterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

296.308

Molecular Formula

C₂₀H₄₀O

SMILES

OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C

XLogP

8.949

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) Saludes JP, Garson MJ, Franzblau SG, Aguinaldo AM.Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).Phytother Res. 2002 Nov;16(7):683-5

2) http://www.motherherbs.com/morinda-citrifolia.html

Curator

Record - 4 of 11 [TOP]

Compound ID

2204

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Broth dilution assay using BACTEC system

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude ethanol extract - 89 % and hexane fraction - 95 %

Activity [MIC] µg/ml

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cycloartenol

PubChem ID

17750995

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

Extract Preparation

Dried leaves were extracted with ethanol to give a green, syrupy extract which was further partitioned into hexane DCM , EtOAc and n - BuOH fractions

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Prenylated, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

N/A

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

O[C@@H]1C([C@H]2[C@@]3([C@]4(C3)[C@H]([C@]3([C@](CC4)([C@H](CC3)[C@@H](CCC=C(C)C)C)C)C)CC2)CC1)(C)C

XLogP

11.921

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)

Curator

Record - 5 of 11 [TOP]

Compound ID

2205

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Ethanol, Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude ethanol extract - 89 % and hexane fraction - 95 %

Activity [MIC] µg/ml

< 2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasta - 4 - 22 - Dien - 3 - One

PubChem ID

6479802

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

N/A

Molecular Weight

424.371

Molecular Formula

C₃₀H₄₈O

SMILES

O=C1CC[C@@]2(C3C([C@]4([C@@]([C@H](CC4)C(C)/C=C/[C@H](C(C)C)CC)(CC3)C)C)CCC2=C1)C

XLogP

11.670

PSA

17.070

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 11 [TOP]

Compound ID

2206

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Ethanol, Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude ethanol extract - 89 % and hexane fraction - 95 %

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - sitosterol

PubChem ID

222284

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

414.386

Molecular Formula

C₂₉H₅₀O

SMILES

O[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@@H](CC[C@H](C(C)C)CC)C)(CC[C@@H]3[C@]2(CC1)C)C

XLogP

11.595

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)

Curator

Record - 7 of 11 [TOP]

Compound ID

2207

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude ethanol extract - 89 % and hexane fraction - 95 %

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasterol

PubChem ID

5280794

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

412.371

Molecular Formula

C₂₉H₄₈O

SMILES

O[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@H](C(C)C)CC)(CC[C@@H]3[C@]2(CC1)C)C

XLogP

11.071

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)

Curator

Record - 8 of 11 [TOP]

Compound ID

3418

Compound Structure

Plant Source

Morinda citrifolia Common Name:Noni

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Ethanol, Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude ethanol extract - 89 % and hexane fraction - 95 %

Activity [MIC] µg/ml

< 2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasta - 4 - En - 3 - One

PubChem ID

579897

Ethnomedicinal Information

PubMed ID [Source Literature]

12410555

Extract Preparation

Dried leaves were extracted with ethanol to give a green, syrupy extract which was further partitioned into hexane DCM , EtOAc and n - BuOH fractions

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

Molecular Weight

412.371

Molecular Formula

C₂₉H₄₈O

SMILES

O=C1CCC2(C3C(C4C(C(CC4)C(CCC(C(C)C)CC)C)(CC3)C)CCC2=C1)C

XLogP

11.588

PSA

17.070

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) Saludes JP, Garson MJ, Franzblau SG, Aguinaldo AM.Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).Phytother Res. 2002 Nov;16(7):683-5

Curator

Reshmi

Record - 9 of 11 [TOP]

Compound ID

3992

Compound Structure

Plant Source

Morinda citrifolia Common Name:

Source Family

Rubiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

< 2.0 µg/ml (2:1 mixture of NPMC 51 and MPMC 52)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC51

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

410.391

Molecular Formula

C₃₀H₅₀

SMILES

CC(C)[C@H](CC)/C=C/[C@@H](C)[C@H]1CCC2C3CCC4CC(=C)CC[C@]4(C)C3CC[C@@]12C

XLogP

14.012

PSA

0.000

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 - 10 of 11 [TOP]

Compound ID

3993

Compound Structure

Plant Source

Morinda citrifolia Common Name:

Source Family

Rubiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

< 2.0 µg/ml (2:1 mixture of NPMC 51 and MPMC 52)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC52

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

408.376

Molecular Formula

C₃₀H₄₈

SMILES

CC(C)[C@H](CC)/C=C/[C@@H](C)[C@H]1CCC2C3CCC4=CC(=C)CC[C@]4(C)C3CC[C@@]12C

XLogP

13.149

PSA

0.000

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 11 [TOP]

Compound ID

3994

Compound Structure

Plant Source

Morinda citrifolia Common Name:

Source Family

Rubiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC53

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

444.360

Molecular Formula

C₂₉H₄₈O₃

SMILES

CC(C)[C@H](CC)/C=C/[C@@H](C)[C@H]1CCC2[C@]34CC[C@@]5(OO3)C[C@@H](O)CC[C@]5(C)C4CC[C@]12C

XLogP

9.550

PSA

38.690

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

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