Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines

ChemPlusChem ◽  
2022 ◽  
Author(s):  
Victor Mamane ◽  
Robin Weiss ◽  
Yann Cornaton ◽  
Hassan Khartabil ◽  
Loïc Groslambert ◽  
...  
Keyword(s):  
Noncovalent Interactions

Noncovalent interactions in catechol/ammonium-rich adhesive motifs: reassessing the role of cation-π complexes?

2021 ◽  
pp. 138815
Author(s):  
Alessandro Ferretti ◽  
Giacomo Prampolini ◽  
Marco d’Ischia
Keyword(s):  
Noncovalent Interactions

Reactions of Carbenes with Ethers: The Role of Noncovalent Interactions

2008 ◽  
Vol 2008 (19) ◽  
pp. 3363-3368 ◽  
Author(s):  
Jean‐Luc Mieusset ◽  
Udo H. Brinker
Keyword(s):  
Noncovalent Interactions

On the role of noncovalent interactions in electrocatalysis. Two cases of mediated reductive dehalogenation

2013 ◽  
Vol 110 ◽  
pp. 619-627 ◽  
Author(s):  
Piotr P. Romańczyk ◽  
Klemens Noga ◽  
Mariusz Radoń ◽  
Grzegorz Rotko ◽  
Stefan S. Kurek
Keyword(s):  
Noncovalent Interactions ◽  
Reductive Dehalogenation

scholarly journals The SUMO E3 Ligase Activity of Pc2 Is Coordinated through a SUMO Interaction Motif

2010 ◽  
Vol 30 (9) ◽  
pp. 2193-2205 ◽  
Author(s):  
Shen-hsi Yang ◽  
Andrew D. Sharrocks
Keyword(s):  
Protein Modification ◽  
Binding Proteins ◽  
Noncovalent Interactions ◽  
Active Form ◽  
Embryonic Stem ◽  
E3 Ligase ◽  
Stem Cell Differentiation ◽  
Embryonic Stem Cell Differentiation ◽  
Sumo Conjugation

ABSTRACT Protein modification by SUMO conjugation has emerged to be an important regulatory event. Recently, the mechanisms through which SUMO elicits its effects on target proteins have been elucidated. One of these is the noncovalent association between SUMO and coregulatory proteins via SUMO interaction motifs (SIMs). We therefore searched for additional binding proteins to elucidate how SUMO acts as a signal to potentiate novel noncovalent interactions with SUMO-binding proteins. We identified an E3 ligase, Pc2, as a SUMO-binding protein with two functionally distinct SIMs. Here, we focus on the role of SIM2 and demonstrate that it is crucial for many of the documented Pc2 functions, which converge on determining its E3 ligase activity. One role of SUMO binding in this context is the subnuclear partitioning of the active form of Ubc9 (SUMO∼Ubc9) by Pc2. The significance of the SIM2-dependent functions of Pc2 is demonstrated in the control of the precise expression of lineage-specific genes during embryonic stem cell differentiation.

A computational study on the role of noncovalent interactions in the stability of polymer/graphene nanocomposites

2017 ◽  
Vol 23 (2) ◽  
Author(s):  
S. Güryel ◽  
M. Alonso ◽  
B. Hajgató ◽  
Y. Dauphin ◽  
G. Van Lier ◽  
...  
Keyword(s):  
Computational Study ◽  
Noncovalent Interactions ◽  
Graphene Nanocomposites ◽  
The Stability

The role of ‘Excluded’ electronic charge in noncovalent interactions

2018 ◽  
Vol 117 (17) ◽  
pp. 2260-2266 ◽  
Author(s):  
Jane S. Murray ◽  
Dariush H. Zadeh ◽  
Pat Lane ◽  
Peter Politzer
Keyword(s):  
Noncovalent Interactions ◽  
Electronic Charge

scholarly journals Halogen Bonding: An Underestimated Player in Membrane–drug Interactions

2020 ◽  
Author(s):  
Rafael Nunes ◽  
Diogo Vila Viçosa ◽  
Paulo J. Costa
Keyword(s):  
Drug Discovery ◽  
Chemical Space ◽  
Noncovalent Interactions ◽  
Halogen Bonding ◽  
Lewis Bases ◽  
Protein Ligand Interactions ◽  
Biochemical Systems ◽  
Ligand Interactions ◽  
Dynamics Simulations

<div>Halogen bonds (HaBs) are noncovalent interactions where halogen atoms act as electrophilic species interacting with Lewis bases. These interactions are relevant in biochemical systems being increasingly explored in drug discovery, mainly to modulate protein–ligand interactions. In this work, we report evidence for the existence of HaB-mediated halogen–phospholipid recognition phenomena as our molecular dynamics simulations support the existence of favorable interactions between halobenzene derivatives and both phosphate (PO) or ester (CO) oxygen acceptors from model phospholipid bilayers, thus providing insights into the role of HaBs in driving the permeation of halogenated drug like molecules across biological membranes. This represents a relevant molecular mechanism, previously overlooked, determining the pharmacological activity of halogenated molecules with implications in drug discovery and development, a place where halogenated molecules account for a significant part of the chemical space. Our data also shows that, as the ubiquitous hydrogen bond, HaBs should be accounted for in the development of membrane permeability models.</div>

Ternary Complexes Stabilized by Chalcogen and Alkaline‐Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions

2019 ◽  
Vol 25 (50) ◽  
pp. 11688-11695 ◽  
Author(s):  
Otilia Mó ◽  
M. Merced Montero‐Campillo ◽  
Ibon Alkorta ◽  
José Elguero ◽  
Manuel Yáñez
Keyword(s):  
Crucial Role ◽  
Alkaline Earth ◽  
Noncovalent Interactions ◽  
Ternary Complexes

Computational Mechanistic Study of Redox-Neutral Rh(III)-Catalyzed C–H Activation Reactions of Arylnitrones with Alkynes: Role of Noncovalent Interactions in Controlling Selectivity

2016 ◽  
Vol 120 (46) ◽  
pp. 9151-9158 ◽  
Author(s):  
Yang-Yang Xing ◽  
Jian-Biao Liu ◽  
Ying-Ying Tian ◽  
Chuan-Zhi Sun ◽  
Fang Huang ◽  
...  
Keyword(s):  
Noncovalent Interactions ◽  
Mechanistic Study
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