A Solvolytic C−C Cleavage Reaction of 6-Acetoxycyclohexa-2,4-dienones:  Mechanistic Implications for the Intradiol Catechol Dioxygenases

2001 ◽  
Vol 66 (6) ◽  
pp. 2091-2097 ◽  
Author(s):  
Kirstin L. Eley ◽  
Patrick J. Crowley ◽  
Timothy D. H. Bugg
Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3986
Author(s):  
Cécilia Hognon ◽  
Antonio Monari

Artemis is an endonuclease responsible for breaking hairpin DNA strands during immune system adaptation and maturation as well as the processing of potentially toxic DNA lesions. Thus, Artemis may be an important target in the development of anticancer therapy, both for the sensitization of radiotherapy and for immunotherapy. Despite its importance, its structure has been resolved only recently, and important questions concerning the arrangement of its active center, the interaction with the DNA substrate, and the catalytic mechanism remain unanswered. In this contribution, by performing extensive molecular dynamic simulations, both classically and at the hybrid quantum mechanics/molecular mechanics level, we evidenced the stable interaction modes of Artemis with a model DNA strand. We also analyzed the catalytic cycle providing the free energy profile and key transition states for the DNA cleavage reaction.


2020 ◽  
Vol 12 (6) ◽  
pp. 807-812
Author(s):  
Xu Wu ◽  
Shuyi He ◽  
Julia Xiaojun Zhao

A sensitive label-free fluorescence assay for monitoring T4 polynucleotide kinase (T4 PNK) activity and inhibition was developed based on a coupled λ exonuclease cleavage reaction and SYBR Green I.


2009 ◽  
Vol 15 (2) ◽  
pp. 157-166 ◽  
Author(s):  
Brandon Ferrier ◽  
Anne-Marie Boulanger ◽  
David M.P. Holland ◽  
David A. Shaw ◽  
Paul M. Mayer

Threshold photoelectron–photoion coincidence (TPEPICO) spectroscopy has been employed to investigate the competition between bond cleavage and rearrangement reactions in the dissociation of ionized nitromethane, 1. Modeling TPEPICO breakdown diagrams with a combination of RRKM theory and ab initio calculations at the G3 level of theory allowed the derivation of the activation energy for the isomerisation of 1 to ionized methyl nitrite, 2, 82 kJ mol−1. In addition, evidence was found for a transition state switch in the bond cleavage reaction in 1 leading to CH3• + NO2+. As internal energy increases, the effective transition state for this reaction becomes tighter (i.e. is characterized by a lower entropy of activation, Δ‡S). Fitted thresholds for NO+ and CH2OHO+ ions, originating from the isomeric methyl nitrite ion, are consistent with G3 level ab initio calculations.


2002 ◽  
Vol 7 (6) ◽  
pp. 567-579 ◽  
Author(s):  
Yoichiro Tanaka ◽  
Mitsuhiro Tagaya ◽  
Tamaki Hori ◽  
Taiichi Sakamoto ◽  
Yasuyuki Kurihara ◽  
...  

Tetrahedron ◽  
1998 ◽  
Vol 54 (49) ◽  
pp. 14725-14736 ◽  
Author(s):  
Wilhelm Boland ◽  
Andreas Gäbler ◽  
Matthias Gilbert ◽  
Zhuofu Feng

2010 ◽  
Vol 19 (11) ◽  
pp. 1116-1118
Author(s):  
Rui Ren ◽  
Pin Yang ◽  
Xiang-Lin Jin

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