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Target‐Specific Anti‐Fungal Discovery by Targeting Geotrichum candidum Histidinol Dehydrogenase: A Hybrid Approach
Author(s) -
Pahwa Sonia,
Chavan Archana G.,
Jain Rahul,
Roy Nilanjan
Publication year - 2008
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/j.1747-0285.2008.00692.x
Subject(s) - dehydrogenase , substrate (aquarium) , chemistry , enzyme , stereochemistry , biochemistry , combinatorial chemistry , computational biology , biology , ecology
This study describes a hybrid approach of screening substrate analogue inhibitors of histidinol dehydrogenase. Imidazole derivative library of ∼400 compounds classified using Hierarchical cluster analysis, representative compounds of each class were tested in enzymatic assay and used for the development of quantitative structure–activity relationship models. Rest of the compounds in the library were screened using developed models and compounds predicted active were retested. 60% of the predicted compounds showed enzyme inhibition activity with IC 50 values ranged between 5.2 and 58.0 μ m range and have fungistatic activity.