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                  Page - 1 of 1                  Record - 1 of 4   [TOP]
Compound ID1056
Compound Structure
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Plant SourceAdhatoda vasica Nees     Common Name:Malabar Nut Tree (English), Vasaka (Sanskrit)
Source FamilyAcanthaceae
OriginIndia
Plant Part UsedLeaf
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test DoneBroth Dilution Assay
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml128 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedBromhexine
PubChem ID   2442
Ethnomedicinal InformationTreatment of tuberculosis, asthma and also as expectorants, bronchial disorders such as acute and chronic cough, bronchitis
PubMed ID [Source Literature]8778507
Extract PreparationN/A
Chemical Classification [Active Compound]Aromatic, Cyclohexane, Amine, Haloginated
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight373.999
Molecular FormulaC14H20Br2N2
SMILESBrc1c(N)c(CN(C2CCCCC2)C)cc(Br)c1
XLogP4.004
PSA29.260
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count3
No. of Rings2
No. of N2
No. of O0
No. of S0
Reference(s)1) Grange JM, Snell NJ.Activity of bromhexine and ambroxol, semi-synthetic derivatives of vasicine from the Indian shrub Adhatoda vasica, against Mycobacterium tuberculosis in vitro.J Ethnopharmacol. 1996 Jan;50(1):49-53

Curator

                  Record - 2 of 4   [TOP]
Compound ID1057
Compound Structure
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Plant SourceAdhatoda vasica Nees     Common Name:Malabar Nut Tree (English), Vasaka (Sanskrit)
Source FamilyAcanthaceae
OriginIndia
Plant Part UsedLeaf
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test DoneBroth Dilution Assay
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml64 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedAmbroxol
PubChem ID   2132
Ethnomedicinal InformationTreatment of tuberculosis, asthma and also as expectorants, bronchial disorders such as acute and chronic cough, bronchitis
PubMed ID [Source Literature]8778507
Extract PreparationN/A
Chemical Classification [Active Compound]Aromatic, Cyclohexane, Amine, Haloginated, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight375.979
Molecular FormulaC13H18Br2N2O
SMILESBrc1c(N)c(CNC2CCC(O)CC2)cc(Br)c1
XLogP2.524
PSA58.280
H-bond Donor3
H-bond Acceptor3
No. of Rotatable Bond Count3
No. of Rings2
No. of N2
No. of O1
No. of S0
Reference(s)1) Grange JM, Snell NJ.Activity of bromhexine and ambroxol, semi-synthetic derivatives of vasicine from the Indian shrub Adhatoda vasica, against Mycobacterium tuberculosis in vitro.J Ethnopharmacol. 1996 Jan;50(1):49-53

Curator

                  Record - 3 of 4   [TOP]
Compound ID2862
Compound Structure
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Plant SourceHelichrysum aureonitens     Common Name:Golden Everlasting
Source FamilyAsteraceae (Compositae)
OriginAfrica
Plant Part UsedCallus tissue from young leaf
ExtractEthanol (95 %)
Target BacteriaMycobacterium tuberculosis H37Rv (ATCC 27264)
Assay / Test DoneRadiorespirometric BACTEC Assay
Positive Control Used (conc.)Isoniazid (0.2 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml1000 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified4 - Chloro - 2 - (Hepta - 1, 3, 5 - Triyn - 1 - yl) - Phenol
PubChem IDNR
Ethnomedicinal InformationAnticancer activity, inhibition on DNA topoisomerase I
PubMed ID [Source Literature]19881282
Extract PreparationCell suspension culture
Chemical Classification [Active Compound]Aromatic, Alkyl, Alkyne, Phenol, Haloginated
Media / Broth Used [Antimicrobial Assay/Test]NR
Cytotoxicity Assay [AID]Against Vero and Human prostate epithelial carcinoma DU 145 cell lines
Molecular Weight214.019
Molecular FormulaC13H7ClO
SMILESC1(cc(c(cc1)O)C#CC#CC#CC)Cl
XLogP3.971
PSA20.230
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count0
No. of Rings1
No. of N0
No. of O1
No. of S0
Reference(s)1) Ziaratnia SM, Ohyama K, Hussein AA, Muranaka T, Lall N, Kunert KJ, Meyer JJ.Isolation and identification of a novel chlorophenol from a cell suspension culture of Helichrysum aureonitens.Chem Pharm Bull (Tokyo). 2009 Nov;57(11):1282-3

CuratorGppreetha, keyamukherjee, reshmi

                  Record - 4 of 4   [TOP]
Compound ID4020
Compound Structure
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Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml0.78 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC37
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tricyclic, Terpene, Diterpene, Quinone, Haloginated, Benzoyl, O-Acetyl
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight528.191
Molecular FormulaC29H33ClO7
SMILESC[C@@]12[C@H](C(C)(CCC1)C)[C@H](O)[C@H](C1=C2C(=O)C(=C(C1=O)C(C)C)OC(=O)c1ccc(Cl)cc1)OC(=O)C
XLogP5.839
PSA106.970
H-bond Donor1
H-bond Acceptor8
No. of Rotatable Bond Count6
No. of Rings4
No. of N0
No. of O7
No. of S0
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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