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Synthesis, anti-fungal activity evaluation and QSAR studies on podophyllotoxin derivatives

Publication Type : Journal Article

Publisher : Open Chemistry

Source : Open Chemistry, 5(3), 880-897

Url :

Campus : Bengaluru

School : School of Engineering

Center : Amrita Innovation & Research

Department : Chemistry

Verified : Yes

Year : 2007

Abstract : The anti-fungal and cytotoxic activites of podophyllotoxin and seven C-4 substituted podophyllotoxin ester derivatives, viz: trans-cinnamyl, cis-cinnamyl, o-methoxy cinnamyl, dimethyl acrylyl, p-methoxy phenyl acetyl, 3,4-dimethoxy phenyl acetyl and 2,5-dimethoxy phenyl acetyl esters were evaluated on four fungi, viz: Macrophomina phaseolina, Fusarium oxysporum, Myrrothecium verrucarria and Asperigillus candidus, The podophyllotoxin derivatives were synthesised and their structures were elucidated. Quantitative structure activity relationships were developed between the activity of these compounds against the four fungi and molecular descriptors. The linear regression models developed had one to two descriptors. For all the cases the r 2 was in the range of 0.73 to 0.96, indicating good data fit and q 2 was in the range of 0.60 to 0.68, indicating that the predictive capabilities of the models were acceptable. Solvent accessible surface area (namely the partial positive solvent-accessible surface area), A log P, highest occupied molecular orbital and conformational energy were identified as important descriptors.

Cite this Research Publication : Kruthiventi, Anil & Singh, Sanjay & Kumar, B. & Doble, Mukesh. (2007). Synthesis, anti-fungal activity evaluation and QSAR studies on podophyllotoxin derivatives. Central Eur. J. Chem.. 5. 880-897. 10.2478/s11532-007-0036-6.

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