Materials Science

Differential Molecular Interactions of Telmisartan: Molecular-Level Insights from Spectral and Computational Studies

Authors

  • Mahendra Singh Department of Pharmaceutical Technology (Formulations), National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S.A.S. Nagar (Mohali), India. ,
  • Jacob Kongsted Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, DK5230 Odense M, Denmark ,
  • Peng Zhan Key laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44 Wenhua xi Road, Jinan, 250012, P.R. China. ,
  • Uttam Chand Banerjee Department of Pharmaceutical Technology (Formulations), National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S.A.S. Nagar (Mohali), India. ,
  • Vasanthanathan Poongavanam Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, DK5230 Odense M, Denmark ,
  • N. Arul Murugan Department of Computer Science, School of Electrical Engineering and Computer Science, KTH Royal Institute of Technology, Stockholm, Sweden.

Abstract

In this study, we investigated differential molecular interactions of crystalline and amorphous forms of telmisartan (TEL), which is a non-peptide angiotensin-II receptor antagonist commonly used in the management of hypertension. Amorphous telmisartan (AM-TEL) was prepared using quench cooling of the melt. The analysis of solid-state properties of AM-TEL using differential scanning calorimetry (DSC) and X-ray powder diffraction (XRD) confirmed formation of AM-TEL. Based on a comparative analysis of molecular interactions using spectral (FTIR and 13C solid-state NMR) and computational tools, we demonstrated that amorphous telmisartan shows altered molecular interactions. Molecular dynamics simulation of amorphous and crystalline forms demonstrate that the amorphous form retained some of the molecular interactions in its disordered molecular arrangement, with a relatively stronger (decrease in bond length) but lesser (up to only 2.6 % of the population) hydrogen bonding network as compared with the crystalline counterpart (up to 76% of the population)

Content

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