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Virtual screening and docking studies of identified potential drug target: polysaccharide deacetylase in Bacillus anthracis

100%

Zaveri K., Chaitanya A. K., Reddy I. B.

International Letters of Natural Sciences

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2015

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tom 07

In recent years, insilico approaches have been predicting novel drug targets. The present day development in pharmaceutics mainly ponders on target based drugs and this has been aided by structure based drug designing and subtractive genomics. In the present study, the computational genome subtraction methodology was applied for identification of novel, potential drug target against Bacillus anthracis, cause of deadly anthrax. The potential drug target identified through subtractive genomics approach was considered as polysaccharide deacetylase. By virtual screening against NCI database and Drugbank chemical libraries, two potential lead molecules were predicted. Further the potential lead molecules and target protein were subjected for docking studies using Autodock.

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Bifunctional inhibitors of protein kinases for intracellular applications

75%

Uri A., Viht K., Pooga M.

Cellular and Molecular Biology Letters

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2003

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tom 08

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nr 2A

3

Filarial glutathione S-transferase: its induction by xenobiotics and potential as drug target

63%

Gupta S., Rathaur S.

Acta Biochimica Polonica

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2005

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tom 52

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nr 2

Glutathione-S-transferase (GST) a Phase-II drug detoxification enzyme, was detected in Setaria cervi, a bovine filarial parasite. In vitro effect of diethylcarbamazine, butylated hydroxyanisole and phenobarbitone on the GST of adult female S. cervi was assayed by the addition of these compounds in the maintenance medium. The specific activity of GST towards 1-chloro-2,4-dinitrobenzene was increased progressively 1.2–1.97, 1.3–2.4 and 1.2–2.7 times at 10–100 µM of diethylcarbamazine, butylated hydroxyanisole and phenobarbitone, respectively, after 5 h at 37oC. Substrate specificity studies showed a higher increase in specific activity with ethacrynic acid and no change with cumene hydroperoxide. Although the intensity of GST activity band was more in extract from diethylcarbamazine or butylated hydroxyanisole treated worms extract, an extra band of activity appeared in those worm extracts compared to control worm extract. SDS/PAGE showed increased thickness of the band corresponding to purified GST in extracts from diethylcarbamazine/butylated hydroxyanisole/phenobarbitone treated worms. Purification and quantification of GST from diethylcarbamazine and butylated hydroxyanisole treated worms indicated an increase in enzyme specific activity. The increase in GST protein by these agents was blocked by prior treatment with actinomycin D, indicative of a transcription dependent response. The role of this enzyme in motility and viability of microfilariae and adult female was tested in vitro using a range of known GST inhibitors. Of those tested, ethacrynic acid, ellagic acid, 1-chloro-2,4-dinitrobenzene, cibacron blue and butylated hydroxyanisole reduced the viability and motility of microfilariae and adult female worms at micromolar concentrations. These results suggest that S. cervi GST is inducible in response to the antifilarial drug diethylcarbamazine and may play an important role in parasite’s survival, thus could be a potential drug target.

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An investigation of CRK protein kinases of Leishmania and the assessment of their potential as drug targets

63%

Ali N. O., Ibrahim M. E., Aradaib I. E., Grant K. M., Mottram J. C.

Cellular and Molecular Biology Letters

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2003

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tom 08

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nr 2A

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Structural genomics of the human protein kinase family

63%

Aparicio A., Brooun A., Chien E., Chi E., Collins B., Cronin C. N., Davies A., Dougan D., Heien E., Hilgers M., Hosfield D., Hu M., Kassel D., Kim S., Knuth M. W., Kraus M., Levin I., Lim K., Manuel M., Mcree D. E., Mol C. D., Nowakowski J., Rogers J., Roth B., Sang B. C., Scheibe D., Skene R., Sridhar V., Swanson R. V., Thompson D. A., Witmer D., Wynands R., Snell G., Wilson K. P., Textor G., Vaughn D., Ye S., Zoa H.

Cellular and Molecular Biology Letters

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2003

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tom 08

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nr 2A

6

Protein kinases of trypanosomatids as drug targets

63%

Mottram J. C., Naula C., Hammarton T., Parsons M.

Cellular and Molecular Biology Letters

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2005

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tom 10

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nr Suppl.2

7

Modified RNAs as potential drug targets

63%

Guenther R., Forrest B., Newman W., Malkiewicz A., Agris P. F.

Acta Biochimica Polonica

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1998

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tom 45

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nr 1

Bleomycin (BLM) is a natural antibiotic that is effective in treatment of selected cancers. Although the exact therapeutic mechanism of bleomycin is not known, its target is thought to be a nucleic acid. Besides cleaving DNA, in vitro, Fe-bleomycin cleaves the anticodon of yeast tRNAPhe specifically. Using CD and fluorescence spectroscopy we have found that apo-bleomycin binds to synthetic RNA analogs of the anticodon of yeast tRNAPhe with an affinity similar to that previously reported for DNA. In order to understand BLM's selectivity, the role magnesium ions play in RNA recognition should be explained. Many RNA substrates for Fe-BLM, including yeast tRNAPhe, are not cleaved by the drug when the Mg2+ concentration exceeds 1 mM. Competition experiments with anticodon analogs provide insight into the role of magnesium ions in RNA recognition by BLM. These simple modified RNAs may be useful as model systems for investigating BLM/RNA recognition and development of highly selective drugs toward RNA targets.

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The P. falciparum CDK family: structural studies and implications for inhibitor design

51%

Merckx A., Zawaira A., Holton S., Doerig C., Noble M., Endicott J.

Cellular and Molecular Biology Letters

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2005

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tom 10

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nr Suppl.2

Ograniczanie wyników

Virtual screening and docking studies of identified potential drug target: polysaccharide deacetylase in Bacillus anthracis

Bifunctional inhibitors of protein kinases for intracellular applications

Filarial glutathione S-transferase: its induction by xenobiotics and potential as drug target

An investigation of CRK protein kinases of Leishmania and the assessment of their potential as drug targets

Structural genomics of the human protein kinase family

Protein kinases of trypanosomatids as drug targets

Modified RNAs as potential drug targets

The P. falciparum CDK family: structural studies and implications for inhibitor design