Unusual Bond Formation in Aspartic Protease Inhibitors: A Theoretical Study

2007 ◽  
Vol 13 (19) ◽  
pp. 5388-5393 ◽  
Author(s):  
Julien Pilmé ◽  
Hélène Berthoumieux ◽  
Vincent Robert ◽  
Paul Fleurat-Lessard
Keyword(s):  
Protease Inhibitors ◽  
Theoretical Study ◽  
Bond Formation ◽  
Aspartic Protease

Thiolate–palladium(iv) or sulfonium–palladate(0)? A theoretical study on the mechanism of palladium-catalyzed C–S bond formation reactions

2017 ◽  
Vol 4 (6) ◽  
pp. 943-950 ◽  
Author(s):  
Dongdong Xu ◽  
Xiaotian Qi ◽  
Meng Duan ◽  
Zhaoyuan Yu ◽  
Lei Zhu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bond Formation ◽  
Oxidative Addition ◽  
Palladium Catalyzed ◽  
Catalytic Cycles ◽  
Bond Formation Reactions

Thiolate–palladium(iv) intermediates are generated through oxidative addition in our suggested mechanisms, and are the key intermediates in these catalytic cycles.

Synthesis ofexo-3-Amino-7-azabicyclo[2.2.1]heptanes as a Class of Malarial Aspartic Protease Inhibitors: Exploration of Two Binding Pockets

2009 ◽  
Vol 2009 (11) ◽  
pp. 1707-1719 ◽  
Author(s):  
Martina Zürcher ◽  
Fraser Hof ◽  
Luzi Barandun ◽  
Andri Schütz ◽  
W. Bernd Schweizer ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Aspartic Protease ◽  
Binding Pockets

Inter-ligand azo (NN) unit formation and stabilization of a Co(ii)-diradical complex via metal-to-ligand dπ–pπ* back donation: synthesis, characterization, and theoretical study

2015 ◽  
Vol 44 (8) ◽  
pp. 3724-3727 ◽  
Author(s):  
Richa Rakshit ◽  
Samir Ghorai ◽  
Amrit Sarmah ◽  
Archana Tiwari ◽  
Ram Kinkar Roy ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bond Formation ◽  
Unit Formation ◽  
Back Donation

Ligand H2Rich(AP)N3 provided a diradical-containing Co(ii) complex via an inter-ligand azo (NN) bond formation.

A New Mechanism for the First Carbon−Carbon Bond Formation in the MTG Process:  A Theoretical Study

1998 ◽  
Vol 120 (32) ◽  
pp. 8222-8229 ◽  
Author(s):  
Nobuo Tajima ◽  
Takao Tsuneda ◽  
Fuminori Toyama ◽  
Kimihiko Hirao
Keyword(s):  
Theoretical Study ◽  
Bond Formation ◽  
Carbon Bond ◽  
Carbon Carbon Bond

Synthesis, Theoretical Study and Catalytic Application of Oxidometal (Mo or V) Complexes: Unexpected Coordination Due to Ligand Rearrangement through Metal-Mediated C-C Bond Formation

2016 ◽  
Vol 2016 (10) ◽  
pp. 1604-1618 ◽  
Author(s):  
Sagarika Pasayat ◽  
Michael Böhme ◽  
Sarita Dhaka ◽  
Subhashree P. Dash ◽  
Sudarshana Majumder ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bond Formation ◽  
Catalytic Application

Aspartic Protease Inhibitors Designed from Computer-Generated Templates Bind As Predicted

2001 ◽  
Vol 3 (15) ◽  
pp. 2309-2312 ◽  
Author(s):  
Amy S Ripka ◽  
Kenneth A. Satyshur ◽  
Regine S. Bohacek ◽  
Daniel H. Rich
Keyword(s):  
Protease Inhibitors ◽  
Aspartic Protease
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