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. 2024 Jun 20;15:5275. doi: 10.1038/s41467-024-49534-0

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© The Author(s) 2024

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — (i) Design and synthesis of dimeric thiazole peptidomimetics. (ii) Self-assembling properties of TBP2: (A) TEM micrograph of TBP2 showing distribution of vesicles (indicated with purple arrow). The TEM imaging were performed independently three times (n = 3). B The average size distribution (±SD) and abundance of TBP2 formed vesicles as measured by DLS method. C Vertically stacked supramolecular arrangement of six TBP2 molecules forming the ion channel, as obtained from the periodic propagation of an optimized TBP2 dimer followed by molecular dynamics minimization. D Top and (E) side views of the optimized structure of a single TBP2 molecule at the M06-2x/6-31 G(d,p) level of theory. The hydrogen bond distances are indicated in the Figure (F, G) Optimized structure of Na⁺ and K⁺ encapsulated TBP2, respectively. Each of the cations is coordinated with three donor atoms and the corresponding distances are indicated in the Figure. (iii) High Resolution TEM micrographs of TBP2 in NaCl (A–D) and KCl (E–H) buffers (pH 7.4); showing nanofibre and vesicular structures. The experiments were performed independently at least three times (n = 3).