24 papers · ranked by Valyu relevance
Arjun Rao, Tin M. Tunjic, Michael Brunsteiner, Michael Müller + 2 more
Proximity-inducing compounds (PICs) are an emergent drug technology through which a protein of interest (POI), often a drug target, is brought into the vicinity of a second protein which modifies the POI’s function, abundance or localisation, giving rise to a therapeutic effect. One of the best-known examples for such…
Richard R. Stein, Marianne Fouché, Jeffrey D. Kearns, Hans-Joerg Roth
'Hans-Joerg Roth'] There is an increasing interest to develop therapeutics that modulate challenging or undruggable target proteins via a mechanism that involves ternary complexes. In general, such compounds can be characterized by their direct affinities to a chaperone and a target protein and by their degree of…
Claudia Diehl, Alessandra Salerno, Alessio Ciulli
Dynamic combinatorial chemistry (DCC) leverages a reversible reaction to generate compound libraries from constituting building blocks under thermodynamic control. The position of this equilibrium can be biased by addition of a target macromolecule towards enrichment of bound ligands. While DCC has been applied to…
Yuliang Yan, Shuo Yan, Haochun Tang, Yiqin Sun + 1 more
Molecular glue degraders have emerged as a promising strategy for targeted protein degradation by inducing ternary complex formation between an E3 ubiquitin ligase and a target protein. Despite their therapeutic potential, computational design of molecular glues remains largely unexplored. Unlike conventional…
Apoorva Mathur, Mariona Alegre Canela, Max von Graevenitz, Chiara Gerstner + 1 more
By stabilizing weak and transient protein-protein interactions (PPIs), molecular glues address the challenge of targeting proteins previously considered undruggable. Rapamycin and WDB002 are molecular glues that bind to FK506-binding protein (FKBP12) and target the FKBP12 rapamycin-associated protein (FRAP) and the…
Hongtao Zhao, Stefan Schiesser, Christian Tyrchan, Werngard Czechtizky
Proteolysis targeting chimeras (PROTACs) are bifunctional small molecules that recruit an E3 ligase to a target protein, leading to ubiquitin transfer and subsequent proteasomal degradation. The formation of ternary complexes is a crucial step in PROTAC-induced protein degradation, and gaining structural insights is…
Authors not listed
Protein-protein interactions (PPIs) play an essential role in biological processes. Molecules that stabilize or induce PPIs in ternary complexes have received growing attention for their therapeutic potential in engaging ’undruggable’ targets and their high selectivity. Here, we investigate the kinetics and thermody-…
F. Aaron Cruz-Navarrete, Wezley C. Griffin, Yuk-Cheung Chan, Maxwell I. Martin + 7 more
Templated synthesis of proteins containing non-natural amino acids (nnAAs) promises to vastly expand the chemical space available to biological therapeutics and materials. Existing technologies limit the identity and number of nnAAs than can be incorporated into a given protein. Addressing these bottlenecks requires…
Yang Li, Zuohang Qu, Lizhi Jiang, Lijing Tang + 2 more
Douglass’ Cooperativity α and Ciulli’s Cooperativity α in induced-proximity systems, remains controversial with paradoxes such as path-dependent metrics and apparent universal negative Cooperativity. We noticed that in “partial-embedded” model, a substantial portion of giant ligand remains exposed outside and does not…
Michał Zabiszak, Justyna Frymark, Monika Skrobanska, Malgorzata T. Kaczmarek + 2 more
'Malgorzata T. Kaczmarek' 'Renata Jastrzab' 'Barbara Miroslaw'] In order to determine how lanthanide ions (La, Nd, Eu, Gd, Ho, Tb, Lu) coordinate in ternary systems with alpha-hydroxy acids (glycolic acid-GA; or tartaric acid-Tar) and spermine (Spm), potentiometric studies were conducted. In addition, binary systems of…
Lavanya Kumar, Sibananda Gourisankar Dash, Katarina Leko, Damian Trzybiński + 3 more
Discovery of a halogen-bonded ternary cocrystal of 1,3,5-trifluoro-2,4,6-triodobenzene with pyrazine and triphenylphosphine sulfide has revealed a complex landscape of multicomponent phases, all achievable by mechanochemical interconversion. The observed solid-state reaction pathways were explained by periodic…
Kiril B. Gavazov, Petya V. Racheva, Antoaneta D. Saravanska, Galya K. Toncheva + 2 more
'Galya K. Toncheva' 'Vasil B. Delchev' 'Mannar R. Maurya'] Two new vanadium (V) complexes involving 6-hexyl-4-(2-thiazolylazo)resorcinol (HTAR) and tetrazolium cation were studied. The following commercially available tetrazolium salts were used as the cation source: tetrazolium red…
Viktor Abramov
We propose a new approach to extending the notion of commutator and Lie algebra to algebras with ternary multiplication laws. Our approach is based on ternary associativity of the first and second kind. We propose a ternary commutator, which is a linear combination of six (all permutations of three elements) triple…
Anti Maria Aader, Viktor Abramov, Olga Liivapuu
We propose an approach to extending the concept of a Lie algebra to ternary structures based on ω-symmetry, where ω is a primitive cube root of unity. We give a definition of a corresponding structure, called a ternary Lie algebra at cube roots of unity, or a ternary ω-Lie algebra. A method for constructing ternary…
Viktor Abramov, Olga Liivapuu
We propose a notion of a ternary skew-symmetric covariant tensor of 3rd order, consider it as a 3-dimensional matrix and study a tendimensional complex space of these tensors. We split this space into a direct sum of two five-dimensional subspaces and in each subspace there is an irreducible representation of the…
Viktor Abramov
We study a ternary algebra of third-order hypermatrices, where by hypermatrix we mean a complex-valued quantity with three indices Tijk. Ternary multiplications of hypermatrices have the property of generalized associativity. We introduce the concepts of q-cyclic and q¯-cyclic traceless hypermatrix, where q is a…
Matthew Cliffe
Metal thiocyanates are some of the earliest reported molecular framework materials and adopta diverse range of structures. This review describes the structures, properties and syntheses ofthe known binary and ternary thiocyanates. It provides a categorization of their diverse structures,and connects them to the…
Rakesh Mukherjee, Merry Mitra, Križan Jurinović, Jordan Juritz + 1 more
On-demand assembly of arbitrary, sequence-defined polymers from a pool of monomers is a major challenge in modern chemistry, towards which limited progress has been made. By contrast, biological systems routinely use information-bearing DNA and RNA templates to catalytically synthesize a precise, far-from-equilibrium…
Hyunsoo Park, Anthony Onwuli, Keith T. Butler, Aron Walsh
The combination of elements from the Periodic Table defines a vast chemical space. Only a small fraction of these combinations yield materials that occur naturally or are accessible synthetically. Here, we enumerate binary, ternary, and quaternary element combinations to produce an extensive library of over 10^10…
Anton Petrovich Novikov, Mikhail Alexandrovich Volkov, Attila Bende, Mihai V. Putz
'Mihai V. Putz'] In this work, O- and N-N-bridging complexes of technetium (V), previously known only for rhenium, were obtained for the first time. Tc(V) complexes with pyridazine (pyd), 1,2,4-triazole (trz), 3,5-dimethylpyrazole (dmpz) and pyrimidine (pyr) were obtained. In three complexes [{TcOCl2}2(μ-O)(μ-pyd)2]…
Xinyu Tian, Gele Teri, Muge Shele, Namila E + 3 more
'Menghe Baiyin'] Four selenoarsenates with different transition-metal complexes [Co(tren)2H]AsSe4 [tren = tris(2-aminoethyl)amine] (1); [Ni2(dien)4](As2Se5) (dien = diethylenetriamine) (2); [Zn(tren)]2(As2Se5) (3) and [Mn(tren)]2(As2Se5) (4) were solvothermally synthesized in a mixed solvent of organic amine and…
Steven Sittel, Dimitri Zorn, Alexandra König, Jonas Marcel Grenz + 3 more
Redox and excited state properties of classical organic and precious metal charge-transfer (CT) photocatalysts can be tuned by substituent effects-however, not independently, as redox and chromophore units are strongly entangled. In contrast, substituent effects should selectively address electrochemical properties of…
Vito Genna, Guillem Portella, Alba Sala, Montserrat Terrazas + 12 more
By combining in-silico, biophysical and in-cellulo experiments, we decipher the topology, physical and potential biological properties of hybrid-parallel nucleic acids triplexes; an elusive structure at the basis of life. We found that hybrid triplex topology follows a stability order: r(Py)-d(Pu)·r(Py)>…
Rhys P. King, Julie M. Herniman, William Levason, Gillian Reid
Diversity in Divalent Group 14 Triflate Complexes Involving Endocyclic Thia-Macrocyclic Coordination Authors: ['Rhys P. King' 'Julie M. Herniman' 'William Levason' 'Gillian Reid'] A highly unusual series of M(II) (M = Ge, Sn, Pb) complexes with endocyclic thioether macrocyclic coordination and with coordination numbers…