Spectroscopic and self-association behavior of a porphyrin-β-cyclodextrin conjugate

2007 ◽  
Vol 31 (8) ◽  
pp. 1499 ◽  
Author(s):  
Antonino Puglisi ◽  
Roberto Purrello ◽  
Enrico Rizzarelli ◽  
Salvatore Sortino ◽  
Graziella Vecchio
Keyword(s):  
Association Behavior ◽  
Self Association

scholarly journals Structure and inhibitor binding characterization of oncogenic MLLT1 mutants

2021 ◽  
Author(s):  
Xiaomin Ni ◽  
Allyn T. Londregan ◽  
Dafydd R. Owen ◽  
Stefan Knapp ◽  
Apirat Chaikuad
Keyword(s):  
Conformational Changes ◽  
Structural Basis ◽  
Wild Type ◽  
Structural Comparison ◽  
Inhibitor Binding ◽  
Binding Interface ◽  
Association Behavior ◽  
Self Association ◽  
Potential Strategy

AbstractDysfunction of YEATS-domain-containing MLLT1, an acetyl/acyl-lysine dependent epigenetic reader domain, has been implicated in the development of aggressive cancers. Mutations in the YEATS domain have been recently reported as a cause of MLLT1 aberrant reader function. However, structural basis for the reported alterations in affinity for acetyled/acylated histone has remained elusive. Here, we report the crystal structures of both insertion and substitution present in cancer, revealing significant conformational changes of the YEATS-domain loop 8. Structural comparison demonstrates that such alteration not only altered the binding interface for acetylated/acylated histones, but the sequence alterations in the T1 loop may enable dimeric assembly consistent inducing self-association behavior. Nevertheless, we show that also the MLLT1 mutants can be targeted by developed acetyllysine mimetic inhibitors with affinities similarly to wild type. Our report provides a structural basis for the altered behaviors and potential strategy for targeting oncogenic MLLT1 mutants.

Self-association of copolymers with various composition profiles

2010 ◽  
Vol 75 (4) ◽  
pp. 493-505 ◽  
Author(s):  
Jitka Kuldová ◽  
Peter Košovan ◽  
Zuzana Limpouchová ◽  
Karel Procházka ◽  
Oleg V. Borisov
Keyword(s):  
Self Assembly ◽  
Diblock Copolymers ◽  
Monte Carlo Study ◽  
Pair Interaction ◽  
Selective Solvents ◽  
Structure Of Associates ◽  
Association Behavior ◽  
Composition Profiles ◽  
Self Association

In this paper, we present Monte Carlo study of the self-assembly of linear copolymers consisting of two types of segments (well soluble A and insoluble B segments) in selective solvents. We used simple lattice model: chains were represented by self-avoiding random walks and quality of solvent for both types of segments was controlled by pair interaction parameters. We analyzed how the association behavior depends on the composition profile, i.e., on the sequence of segments A and B along the chain. The size and structure of associates formed by chains with different composition profiles were compared with those of diblock copolymers with the same content of A and B segments. It was shown that even small changes in the sequence of segments within the chains lead to significant differences in the association behavior. In addition to composition profiles, we also shown how the association behavior depends on the quality of solvent and copolymer concentration.

Developability Assessment of Engineered Monoclonal Antibody Variants with a Complex Self-Association Behavior Using Complementary Analytical and in Silico Tools

2018 ◽  
Vol 15 (12) ◽  
pp. 5697-5710 ◽  
Author(s):  
Lu Shan ◽  
Neil Mody ◽  
Pietro Sormani ◽  
Kim L. Rosenthal ◽  
Melissa M. Damschroder ◽  
...  
Keyword(s):  
Monoclonal Antibody ◽  
In Silico ◽  
Association Behavior ◽  
Self Association ◽  
In Silico Tools
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