CP-MLR Directed QSAR Rationales for the 1-aryl Sulfonyl Tryptamines as 5-HT6 Receptor Ligands: An Advanced Study

Using Dragon descriptors, a QSAR study was conducted to rationalize the 5-HT6 receptor binding affinities of the 1-aryl sulfonyl tryptamine derivatives. To improve binding affinity, a higher value of molecular symmetry and topology accounting Randic shape index descriptor PW4 (path/walk 4) would be preferable. The presence of more bromine atoms (descriptor nBR) and such structural…
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July 3, 2021 0