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

Content Provider	MDPI
Author	Ferrer-Pertuz, Karoll Espinoza, Luis Mella, Jaime
Abstract	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.
File Size	11189248
File Format	PDF
e-ISSN	14220067
DOI	10.3390/ijms18122734
Journal	International Journal of Molecular Sciences
Issue Number	12
Volume Number	18
Language	English
Publisher Date	2017-12-17
Access Restriction	Open
Subject Keyword	brassinosteroids bean second-internode 3D-QSAR CoMFA CoMSIA plant steroids vegetable growth promoters
Content Type	Text
Resource Type	Article

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