Influence of thermodynamic parameter in Lanosterol 14alpha-demethylase inhibitory activity as antifungal agents: a QSAR approach.
A quantitative structure activity relationship, Hansch approach was applied on twenty compounds of chromene derivatives as Lanosterol 14alpha-demethylase inhibitory activity against eight fungal organisms. 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 eight different fungal organisms were first validated by leave-one-out cross validation procedure. It was revealed that thermodynamic parameters were found to have overall significant correlationship with anti fungal activity and these studies provide an insight to design new molecules.
Vasanthanathan
Poongavanam
P
Faculty of Pharmacy, Babu Banarasi Das National Institute of Technology and Management, Chinhut, Lucknow, India. nobelvasanth@gmail.com
Lakshmi
Manickavasagam
M
Arockia Babu
Marianesan
M
Kaskhedikar
Sathish Gopalrao
SG
D000935:Antifungal Agents / Q000737:chemistry / Q000494:pharmacology*; D001578:Benzopyrans / Q000737:chemistry / Q000494:pharmacology*; D065607:Cytochrome P-450 Enzyme Inhibitors; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D005658:Fungi / Q000187:drug effects / Q000201:enzymology / Q000254:growth & development; D008826:Microbial Sensitivity Tests; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D058886:Sterol 14-Demethylase; D013816:Thermodynamics
D000935:Antifungal Agents; D001578:Benzopyrans; D065607:Cytochrome P-450 Enzyme Inhibitors; D004791:Enzyme Inhibitors; D058886:Sterol 14-Demethylase