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Chemical-functional space exploration of plant N-alkylamides

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IWT dossiernummer 093257
Abstract
N-Alkylamides are widely present in different plant families like Asteraceae, Piperaceae, Rutaceae and Solanaceae. These compounds have been shown to possess a broad functional spectrum: anti-inflammatory, immune-modulatory, diuretic, vasorelaxant, analgetic, anti-insecticidal, antiviral and aphrodisiac [1, 2]. Also different toxic end points, e.g. associated with the respiratory tract, eyes and skin, have been reported [3]. N-Alkylamides are thus a new group of drugs, related to peptides due to their amide structure. However, up till now, no structured overview of N-alkylamides is yet available. Therefore, we performed a classification of these N-alkylamides, including their structural relationships and bio-functionality. A database was first constructed, and each N-alkylamide was converted into molecular descriptors. Multi-variate analysis was performed for clustering and modelling [4, 5]. References [1] J. Boonen, B. Baert, N. Roche, C. Burvenich and B. De Spiegeleer. Transdermal behaviour of the N alkylamide spilanthol (affinin) from Spilanthes acmella (Compositae) extracts, Journal of Ethnopharmacology 127(1) (2010) 77-84. [2] V. Sharma, J. Boonen, M. Thakur, B. De Spiegeleer, V.K. Dixit. Spilanthes acmella ethanolic flower extract: LC-MS alkylamide profiling and its effects on sexual behaviour in male rats, Phytomedicine (2011), accepted for publication. [3] M. Pesonen, K. Vähäkangas, M. Halme, P. Vanninen, H. Seulanto et. al. Capsaicinoids, chloropicrin and sulfur mustard: Possibilities for exposure biomarkers, Frontiers in Pharmacology (2010). [4] S. Van Dorpe, V. Vergote, A. Pezeshki, C. Burvenich, K. Peremans, B. De Spiegeleer, Hydrophilic interaction LC of peptides: Columns comparison and clustering, 33(6-7) (2010) 728-739. [5] B. Baert, E. De Coninck, M. Van Gele, M. Slodicka, P. Stoppie, S. Bodé, G. Slegers, Y. Vander Heyden, J. Lambert, J. Beetens, B. De Spiegeleer. Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds, Bioorganic & medicinal chemistry 15(22) (2007) 6943-6955.

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Citation

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Chicago
Boonen, Jente, Vikas Sharma, Vinot Dixit, and Bart De Spiegeleer. 2011. “Chemical-functional Space Exploration of Plant N-alkylamides.” In Abstract Book 15th Forum of Pharmaceutical Sciences, 6–6.
APA
Boonen, Jente, Sharma, V., Dixit, V., & De Spiegeleer, B. (2011). Chemical-functional space exploration of plant N-alkylamides. Abstract book 15th forum of pharmaceutical sciences (pp. 6–6). Presented at the 15th Forum of Pharmaceutical Sciences.
Vancouver
1.
Boonen J, Sharma V, Dixit V, De Spiegeleer B. Chemical-functional space exploration of plant N-alkylamides. Abstract book 15th forum of pharmaceutical sciences. 2011. p. 6–6.
MLA
Boonen, Jente, Vikas Sharma, Vinot Dixit, et al. “Chemical-functional Space Exploration of Plant N-alkylamides.” Abstract Book 15th Forum of Pharmaceutical Sciences. 2011. 6–6. Print.
@inproceedings{1224675,
  abstract     = {N-Alkylamides are widely present in different plant families like Asteraceae, Piperaceae, Rutaceae and Solanaceae. These compounds have been shown to possess a broad functional spectrum: anti-inflammatory, immune-modulatory, diuretic, vasorelaxant, analgetic, anti-insecticidal, antiviral and aphrodisiac [1, 2]. Also different toxic end points, e.g. associated with the respiratory tract, eyes and skin, have been reported [3]. N-Alkylamides are thus a new group of drugs, related to peptides due to their amide structure. However, up till now, no structured overview of N-alkylamides is yet available. Therefore, we performed a classification of these N-alkylamides, including their structural relationships and bio-functionality. A database was first constructed, and each N-alkylamide was converted into molecular descriptors. Multi-variate analysis was performed for clustering and modelling [4, 5]. References [1]\unmatched{0009}J. Boonen, B. Baert, N. Roche, C. Burvenich and B. De Spiegeleer. Transdermal behaviour of the N\unmatched{0009}alkylamide spilanthol (affinin) from Spilanthes\unmatched{0009}acmella (Compositae) extracts, Journal of\unmatched{0009}Ethnopharmacology 127(1) (2010) 77-84. [2]\unmatched{0009}V. Sharma, J. Boonen, M. Thakur, B. De Spiegeleer, V.K. Dixit. Spilanthes acmella ethanolic flower\unmatched{0009}extract: LC-MS alkylamide profiling and its effects on sexual behaviour in male rats, Phytomedicine\unmatched{0009}(2011), accepted for publication. [3]\unmatched{0009}M. Pesonen, K. V{\"a}h{\"a}kangas, M. Halme, P. Vanninen, H. Seulanto et. al. Capsaicinoids, chloropicrin and sulfur mustard: Possibilities for exposure biomarkers, Frontiers in Pharmacology (2010). [4]\unmatched{0009}S. Van Dorpe, V. Vergote, A. Pezeshki, C. Burvenich, K. Peremans, B. De Spiegeleer, Hydrophilic\unmatched{0009}interaction LC of peptides: Columns comparison and clustering, 33(6-7) (2010) 728-739. [5]\unmatched{0009}B. Baert, E. De Coninck, M. Van Gele, M. Slodicka, P. Stoppie, S. Bod{\'e}, G. Slegers, Y. Vander Heyden, J. Lambert, J. Beetens, B. De Spiegeleer. Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds, Bioorganic \& medicinal chemistry 15(22) (2007) 6943-6955.},
  author       = {Boonen, Jente and Sharma, Vikas and Dixit, Vinot and De Spiegeleer, Bart},
  booktitle    = {Abstract book 15th forum of pharmaceutical sciences},
  language     = {eng},
  location     = {Spa, Belgium},
  pages        = {6--6},
  title        = {Chemical-functional space exploration of plant N-alkylamides},
  year         = {2011},
}