%0 Journal Article
%T Topochemical Models for the Prediction of 5-HT6 Binding Affinity of 3-ethyl-1H-indoles
%A Harish DUREJA
%A A.K. MADAN
%J Leonardo Journal of Sciences
%D 2009
%I AcademicDirect
%X Relationship between the topochemical indices and 5-HT6 binding affinity of 3-ethyl-1H-indoles has been investigated. Wiener¡¯s topochemical index - a distance-based topochemical descriptor, eccentric connectivity topochemical index and augmented eccentric connectivity topochemical index - both adjacency-cum-distance based topochemical descriptors were used for the present investigation. A dataset comprising of 26 analogues of 3-ethyl-1H-indoles was selected for the present study. The values of Wiener¡¯s topochemical index, eccentric connectivity topochemical index and augmented eccentric connectivity topochemical index were computed for each of the 26 analogues using an in-house computer program. Resultant data was analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each compound using these models, which was then compared with the reported 5-HT6 binding affinity. Statistical significance of proposed models was investigated using intercorrelation analysis. Accuracy of prediction of proposed models was found to be 81 - 84%.
%K Topochemical indices
%K Wiener¡¯s topochemical index
%K Eccentric connectivity topochemical index
%K Augmented eccentric connectivity topochemical index
%K 5-HT6 binding affinity
%K 3-ethyl-1H-indoles
%U http://ljs.academicdirect.org/A14/124_139.htm