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  • Title: QSAR study on inhibition of brain 3-hydroxy-anthranilic acid dioxygenase (3-HAO): a molecular connectivity approach.
    Author: Agrawal VK, Sohgaura R, Khadikar PV.
    Journal: Bioorg Med Chem; 2001 Dec; 9(12):3295-9. PubMed ID: 11711305.
    Abstract:
    The ability of 4,5-, 4,6-disubstituted and 4,5,6-trisubstituted 3-hydroxyanthranilic acid derivatives to reduce the production of the excitotoxin quinolinic acid (QUIN) by inhibition of brain 3-hydroxyanthranilic acid dioxygenase (3-HAO) has been investigated using molecular connectivity indices (0chi(v), 1chi(v), 2chi(v)). The in-vivo inhibition of 3-HAO in rat cortex (pIC(50), nM) is used for this purpose. The regression models obtained suggest that the degree of branching of the compounds under study have a dominant role in the observed inhibition potency. The data were used to generate quantitative structure-activity relationship (QSAR) models for estimating the potency of 3-HAO. The information obtained from the correlation should be useful in designing more potent analogues.
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