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Original Articles Open Access
The 5-HT4 receptor binding affinities of the radioligands based on SB 207710 have been quantitatively analyzed in terms of Dragon descriptors. In order to improve the 5-HT4 receptor binding affinity of a compound, more number of halogen atoms (X) on aromatic ring and donor atoms (nitrogen and oxygen) for H-bonds in a molecule are recommended by descriptors nPhX and nHDon. Atomic properties (mass and van der Waals volume) have shown prevalence in terms of associations of masses to the lowest eigenvalues n.1, 6 and 8 of Burden matrix (BELm1, BELm6 and BELm8) and van der Waals volume to path length 1 of Moran autocorrelation (MATS1v). A lower values of descriptors MATS1v and BELm1 and higher values of descriptors BELm6 and BELm8 would be beneficiary to the activity. The derived models and participating descriptors in them have suggested that the SB 207710 moiety have sufficient scope for further modification.
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Author(s): Manju Choudhary and Brij Kishore Sharma
QSAR, SB 207710, 5-HT4 receptor ligands, binding affinity, combinatorial protocol in multiple linear regression (CP-MLR)., QSAR