QSAR Study of 3-Phenyl-5-acyloxymethyl-2H,5H-furan-2-ones as Antifungal Agents : The Dominant Role of Electronic Parameter
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概要
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To explore physicochemical properties of 3-phenyl-5-acyloxymethyl-2H, 5H-furan-2-ones derivatives responsible for their antifungal activity, a quantitative structure activity relationship, Hansch approach was applied on sixteen compounds of above mentioned derivatives. Various physicochemical descriptors and reported minimum inhibitory concentration values of different fungal organisms were used as independent variables and dependent variable respectively. The best models for twelve different fungal organisms were first validated by leave-one-out cross validation procedure. Further, bootstrapping method was adopted to assess the robustness of the models. It was revealed that electronic parameters were found to have overall significant correlationship with antifungal activity and these studies provide an insight to design new molecules.
- 公益社団法人日本薬学会の論文
- 2006-04-01
著者
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Gupta Arun
Molecular Modeling Laboratory Department Of Pharmacy Shri. G.s. Institute Of Technology And Science
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Arockia Babu
Molecular Modeling Laboratory Department Of Pharmacy Shri. G.s. Institute Of Technology And Science
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Lakshmi Manickavasagam
Faculty Of Pharmacy Babu Banarasi Das National Institute Of Technology And Management
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VASANTHANATHAN Poongavanam
Faculty of Pharmacy, Babu Banarasi Das National Institute of Technology and Management
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KASKHEDIKAR Sathish
Molecular Modeling Laboratory, Department of Pharmacy, Shri. G.S. Institute of Technology and Scienc
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Kaskhedikar Sathish
Molecular Modeling Laboratory Department Of Pharmacy Shri. G.s. Institute Of Technology And Science
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Vasanthanathan Poongavanam
Faculty Of Pharmacy Babu Banarasi Das National Institute Of Technology And Management
関連論文
- QSAR Study of 3-Phenyl-5-acyloxymethyl-2H,5H-furan-2-ones as Antifungal Agents : The Dominant Role of Electronic Parameter
- Influence of Thermodynamic Parameter in Lanosterol 14α-Demethylase Inhibitory Activity as Antifungal Agents : A QSAR Approach(Medicinal Chemistry)