NDLI: Predicting anti-allergic activity of 4-oxopyrimido [4,5-b]quinolines: Computational approach using topochemical indices

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Predicting anti-allergic activity of 4-oxopyrimido [4,5-b]quinolines: Computational approach using topochemical indices

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Predicting anti-allergic activity of 4-oxopyrimido [4,5-b]quinolines: Computational approach using topochemical indices

Content Provider	Springer Nature Link
Author	Kumar, Vipin Madan, A. K.
Copyright Year	2007
Abstract	The relationship between the topochemical indices and antiallergic activity of 4-oxopyrimido[4,5-b]quinolines was investigated. Three topochemical indices—Wiener’s topochemical index, a distance-based topochemical descriptor; molecular connectivity topochemical index, an adjacency-based topochemical descriptor; and eccentric connectivity topochemical index, an adjacency-cum-distance based topochemical descriptor—were used for the present investigation. A data set comprising 49 analogs of substituted 4-oxopyrimido[4,5-b]quinolines was selected for the present study. The values of the Wiener’s topochemical index, molecular connectivity topochemical index, and eccentric connectivity topochemical index for each of the 49 analogs comprising the data set were computed. The resulting data were analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each analog involved in the data set via these models, which was then compared with the reported antiallergic activity. Accuracy of prediction was found to vary from a minimum of approximately 86% to a maximum of approximately 88%. These models offer vast potential for providing lead structures for the development of potent antiallergic agents.
Starting Page	88
Ending Page	99
Page Count	12
File Format	PDF
ISSN	10542523
Journal	Medicinal Chemistry Research
Volume Number	16
Issue Number	2
e-ISSN	15548120
Language	English
Publisher	SP Birkhäuser Verlag Boston
Publisher Date	2007-06-15
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Antiallergic activity Eccentric connectivity topochemical index Molecular connectivity topochemical index 4-Oxopyrimido[4,5-b]quinolines Topochemical indices Wiener’s topochemical index Cell Biology Biochemistry Pharmacology/Toxicology
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Pharmacology, Toxicology and Pharmaceutics

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