NMR and Molecular Dynamics Studies of Tachykinins: Conformation of Substance P Fragment 4-11 |
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| Authors: | Evans Coutinho Shantaram Kamath Anil Saran Sudha Srivastava |
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| Affiliation: | 1. Bombay College of Pharmacy , Kalina, Mumbai , 400 098 , India;2. Tata Institute of Fundamental Research , Homi Bhabha Road, Navy Nagar, Mumbai , 400 005 , India |
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| Abstract: | Abstract The conformation of the C-terminal octapeptide fragment of Substance P (SP4-11, Pro-GlnGln-Phe-Phe-Gly-Leu-Met-NH2) has been investigated by 2D-NMR and MD methods. The octapeptide exists in a blend of conformations. The molecule seems to shuttle between conformations with y-bends either at Phe5 or Gly6 or Gln3 or Leu7 and between a nearly extended structure. |
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