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2007 | 5 | 3 | 880-897
Tytuł artykułu

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

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
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.
Wydawca

Czasopismo
Rocznik
Tom
5
Numer
3
Strony
880-897
Opis fizyczny
Daty
wydano
2007-09-01
online
2007-09-01
Twórcy
  • Department of Chemistry, Sri Sathya Sai University, Prashanthi Nilayam, 515134, Andhra Pradesh, India
  • Department of Chemistry, Sri Sathya Sai University, Prashanthi Nilayam, 515134, Andhra Pradesh, India
  • Department of Chemistry, Sri Sathya Sai University, Prashanthi Nilayam, 515134, Andhra Pradesh, India
autor
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-007-0036-6
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