A QSAR study on 5-HT6 receptor antagonists: the 3,4-dihydro-2H- benzo[1,4]oxazines
نویسندگان
چکیده
This study has provided a rational approach for the development of new 3,4-dihydro-2H-benzo[1,4]oxazine derivatives as potential 5-HT6 antagonists. The descriptors identified in CP-MLR analysis have highlighted the role of atomic van der Waals volume in terms of BEHv6, path/walk ratio 3 and 4Randic shape index (PW3 and PW4), number of rotatable bonds (RBN) and superpendentic index (SPI) to explain the biological actions of 3,4-dihydro2H-benzo[1,4]oxazine derivatives as potential 5-HT6 antagonists. Applicability domain analysis revealed that the suggested model matches the high quality parameters with good fitting power and the capability of assessing external data and almost all of the compounds was within the applicability domain of the proposed model and were evaluated correctly.
منابع مشابه
Rhodium-catalyzed transannulation of N-sulfonyl-1,2,3-triazoles and epoxides: regioselective synthesis of substituted 3,4-dihydro-2H-1,4-oxazines.
Rhodium-catalyzed transannulation of 1,2,3-triazoles and ring-opening reactions of epoxides is described. A number of 3,4-dihydro-2H-1,4-oxazines are obtained in moderate yields probably involving generation of α-imino rhodium(II) carbene species.
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