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Vibrational frequencies of anti-diabetic drug studied by terahertz time-domain spectroscopy

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9 Author(s)
Du, S. Q. ; Engineering Research Center of Optical Instrument and System, Ministry of Education and Shanghai Key Lab of Modern Optical System, University of Shanghai for Science and Technology, No. 516 JunGong Road, Shanghai 200093, China ; Li, H. ; Xie, L. ; Chen, L.
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By using terahertz time-domain spectroscopy, the absorption spectra of seven anti-diabetic pills have been investigated. For gliquidone, glipizide, gliclazide, and glimepiride, an obvious resonance peak is found at 1.37 THz. Furthermore, to overcome the limit of density functional theory that can analyze the normal mode frequencies of the ground state of organic material, we also present a method that relies on pharmacophore recognition, from which we can obtain the resonance peak at 1.37 THz can be attributed to the vibration of sulfonylurea group. The results indicate that the veracity of density functional theory can be increased by combining pharmacophore recognition.

Published in:

Applied Physics Letters  (Volume:100 ,  Issue: 14 )