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Crystallographic study of novel transthyretin ligands exhibiting negative-cooperativity between two thyroxine binding sites.

<div class='caption-title'>Representation of bi-dimensional chemical structures of the ligands used in this study.</div>
<div class='caption-title'>Prototype structure of the wtTTR-ligand complex.</div>
<div class='caption-title'>Crystal structures of TTR-ligand complexes.</div>
Tomar D, Khan T, Singh RR, Mishra S, Gupta S, Surolia A, Salunke DM
OpenAccess logo PLoS One 7 e43522 (2012)
Related entries: 4abq, 4abu, 4abv, 4abw, 4ac4, 4ank

Cited: 19 times
EuropePMC logo PMID: 22973437

Abstract

Background

Transthyretin (TTR) is a homotetrameric serum and cerebrospinal fluid protein that transports thyroxine (T4) and retinol by binding to retinol binding protein. Rate-limiting tetramer dissociation and rapid monomer misfolding and disassembly of TTR lead to amyloid fibril formation in different tissues causing various amyloid diseases. Based on the current understanding of the pathogenesis of TTR amyloidosis, it is considered that the inhibition of amyloid fibril formation by stabilization of TTR in native tetrameric form is a viable approach for the treatment of TTR amyloidosis.

Articles - 4ac2 mentioned but not cited (2)

  1. Crystallographic study of novel transthyretin ligands exhibiting negative-cooperativity between two thyroxine binding sites. Tomar D, Khan T, Singh RR, Mishra S, Gupta S, Surolia A, Salunke DM. PLoS One 7 e43522 (2012)
  2. Genome-wide identification and characterization of multiple C2 domains and transmembrane region proteins in Gossypium hirsutum. Hao P, Wang H, Ma L, Wu A, Chen P, Cheng S, Wei H, Yu S. BMC Genomics 21 445 (2020)


Reviews citing this publication (3)

  1. Transthyretin Stabilization: An Emerging Strategy for the Treatment of Alzheimer's Disease? Saponaro F, Kim JH, Chiellini G. Int J Mol Sci 21 E8672 (2020)
  2. Review on the Structures and Activities of Transthyretin Amyloidogenesis Inhibitors. Guo X, Liu Z, Zheng Y, Li Y, Li L, Liu H, Chen Z, Wu L. Drug Des Devel Ther 14 1057-1081 (2020)
  3. The Journey of Human Transthyretin: Synthesis, Structure Stability, and Catabolism. Sanguinetti C, Minniti M, Susini V, Caponi L, Panichella G, Castiglione V, Aimo A, Emdin M, Vergaro G, Franzini M. Biomedicines 10 1906 (2022)

Articles citing this publication (14)

  1. Do Halogen-Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand-Protein Binding? Lin FY, MacKerell AD. J Phys Chem B 121 6813-6821 (2017)
  2. Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator. Lin FY, MacKerell AD. J Chem Theory Comput 14 1083-1098 (2018)
  3. Binding of Monovalent and Bivalent Ligands by Transthyretin Causes Different Short- and Long-Distance Conformational Changes. Corazza A, Verona G, Waudby CA, Mangione PP, Bingham R, Uings I, Canetti D, Nocerino P, Taylor GW, Pepys MB, Christodoulou J, Bellotti V. J Med Chem 62 8274-8283 (2019)
  4. Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach. Zhang Z, Martiny V, Lagorce D, Ikeguchi Y, Alexov E, Miteva MA. PLoS One 9 e110884 (2014)
  5. Force Fields for Small Molecules. Lin FY, MacKerell AD. Methods Mol Biol 2022 21-54 (2019)
  6. Structural evidence for asymmetric ligand binding to transthyretin. Cianci M, Folli C, Zonta F, Florio P, Berni R, Zanotti G. Acta Crystallogr D Biol Crystallogr 71 1582-1592 (2015)
  7. Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae. Parvaiz N, Ahmad F, Yu W, MacKerell AD, Azam SS. PLoS One 16 e0244967 (2021)
  8. The putative role of some conserved water molecules in the structure and function of human transthyretin. Banerjee A, Dasgupta S, Mukhopadhyay BP, Sekar K. Acta Crystallogr D Biol Crystallogr 71 2248-2266 (2015)
  9. Structural Stabilization of Human Transthyretin by Centella asiatica (L.) Urban Extract: Implications for TTR Amyloidosis. Eze FN, Leelawatwattana L, Prapunpoj P. Biomolecules 9 E128 (2019)
  10. Structure-based analysis of A19D, a variant of transthyretin involved in familial amyloid cardiomyopathy. Ferreira P, Sant'Anna R, Varejão N, Lima C, Novis S, Barbosa RV, Caldeira CM, Rumjanek FD, Ventura S, Cruz MW, Foguel D. PLoS One 8 e82484 (2013)
  11. Structural and dynamics evidence for scaffold asymmetric flexibility of the human transthyretin tetramer. Zanotti G, Vallese F, Ferrari A, Menozzi I, Saldaño TE, Berto P, Fernandez-Alberti S, Berni R. PLoS One 12 e0187716 (2017)
  12. Modulating inhibitors of transthyretin fibrillogenesis via sulfation: polychlorinated biphenyl sulfates as models. Grimm FA, Grimm FA, Lehmler HJ, He X, Robertson LW, Duffel MW. Chem Biol Interact 228 1-8 (2015)
  13. Study on the binding characteristics of hydroxylated polybrominated diphenyl ethers and thyroid transporters using the multispectral technique and computational simulation. Wei Y, Yi Z, Xu J, Yang W, Yang L, Liu H. J Biomol Struct Dyn 37 1402-1413 (2019)
  14. In silico analysis decodes transthyretin (TTR) binding and thyroid disrupting effects of per- and polyfluoroalkyl substances (PFAS). Dharpure R, Pramanik S, Pradhan A. Arch Toxicol 97 755-768 (2023)


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