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Structural comparison of NK2 receptor agonists and antagonists

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Summary

The conformational space of two NK2 receptor agonists and a new potent antagonist has been sampled by the simulated annealing technique. Low-energy conformers were obtained, which were compared with respect to their key residues, namely phenylalanine, leucine and methionine. The hypothesis is that they share part of the binding site on the receptor.

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Authors and Affiliations

  1. Menarini Research, Via Sette Santi 3, I-50131, Florence, Italy

    Alessandro Giolitti & Carlo A. Maggi

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  1. Alessandro Giolitti
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  2. Carlo A. Maggi
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Giolitti, A., Maggi, C.A. Structural comparison of NK2 receptor agonists and antagonists. J Computer-Aided Mol Des 8, 341–344 (1994). https://doi.org/10.1007/BF00126750

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  • DOI: https://doi.org/10.1007/BF00126750

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