Brassinosteroids and Brassinosteroid Analogues Inclusion Complexes in Cyclodextrins

Zullo, Marco António Teixeira; Azevedo, Mariangela de Burgos M de

doi:10.1007/978-94-017-0948-4_8

Cited by 1 publication

(1 citation statement)

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“…Therefore, these positions appear to be optimal for modulating lipophilicity of the compounds indicating that hydrophobic groups at those positions would be favorable. This information is consistent with reports that BRs are lipophilic compounds, characterized by a 5α-cholestane skeleton, oxygenated at least at C-3, C-22 and C-23 [ 33 ].…”

Section: Discussionsupporting

confidence: 93%

Insights into the Structural Requirements of Potent Brassinosteroids as Vegetable Growth Promoters Using Second-Internode Elongation as Biological Activity: CoMFA and CoMSIA Studies

Ferrer

Espinoza

Mella

2017

IJMS

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In the present study, we have employed the ligand-based drug design technique, 3D-QSAR, through a comparative molecular field analysis (CoMFA) and a comparative molecular similarity indices analysis (CoMSIA) to determine the key factors for the plant growth promoting activity of brassinosteroids reported in literature, using the bean second-internode bioassay measured on two groups of compounds with different molar concentrations. This is the first 3D-QSAR study using the second internode elongation as biological activity. These results provide useful ideas for the design of new molecules, which could be explored in the future to identify novel vegetable growth promoters with similar or greater biological activity than natural brassinosteroids. The reliability of this study was supported by the robust statistical parameters obtained from CoMFA (Model A, r2pred = 0.751; Model B, r2pred = 0.770) and CoMSIA (Model A, r2pred = 0.946; Model B, r2pred = 0.923) analysis.

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Section: Discussionsupporting

confidence: 93%