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Study of physicochemical properties-antitubercular activity relationship of naphthalene-1,4-dione analogs: A QSAR approach
Gupta, Revathi A., Gupta, Arun Kumar, Soni, Love Kumar and Kaskhedikar, Satish G. Study of physicochemical properties-antitubercular activity relationship of naphthalene-1,4-dione analogs: A QSAR approach Chemical Papers, Vol.63, No. 6, 2009, 723-730
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Document type:
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Článok z časopisu / Journal Article |
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Collection:
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Chemical papers
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| Author(s) |
Gupta, Revathi A.
Gupta, Arun Kumar
Soni, Love Kumar
Kaskhedikar, Satish G.
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| Title |
Study of physicochemical properties-antitubercular activity relationship of naphthalene-1,4-dione analogs: A QSAR approach
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| Journal name |
Chemical Papers
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| Publication date |
2009
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| Year available |
2009
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| Volume number |
63
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| Issue number |
6
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| ISSN |
0366-6352
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| Start page |
723
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| End page |
730
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| Place of publication |
Poland
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| Publisher |
Versita
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| Collection year |
2009
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| Language |
english
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| Subject |
270000 Biological Sciences
270100 Biochemistry and Cell Biology
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| Abstract/Summary |
Enduring pandemic nature of tuberculosis urges to explore novel antimycobacterial agents with different mechanism of actions. Plant containing 1,4-naphthoquinone derivatives showed promising antitubercular activity with novel mode of action and their synthetic/semi-synthetic derivatives devoid of toxicity. Structural requirements of naphthalene-1,4-dione derivatives towards antitubercular activity and cytotoxicity were explored using a mathematical model in order to understand their physicochemical parameters. A quantitative structure activity relationship study furnished some important structural insights for antitubercular activity, i.e. average connectivity index, information content index of neighborhood symmetry, aromatic ratio, and path/walk 3 Randic shape index. Similarly it also provides drivers for the cytotoxicity of compounds. These drivers will be helpful in further development of safer and potent 1,4-naphthoquinone derivatives.
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