Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex

2022 ◽  
Author(s):  
Dhanushka Weerakoon ◽  
Rodrigo J. Carbajo ◽  
Leonardo De Maria ◽  
Christian Tyrchan ◽  
Hongtao Zhao
Keyword(s):  
Ternary Complex ◽  
Solution Conformations

Binding Mechanism and Structural Insights into the Identified Protein Target of Covid-19 with In-Vitro Effective Drug Ivermectin

2020 ◽  
Author(s):  
Parth Sarthi Sen Gupta ◽  
Satyaranjan Biswal ◽  
Saroj Kumar Panda ◽  
Abhik Kumar Ray ◽  
Malay Kumar Rana
Keyword(s):  
Ternary Complex ◽  
Bound State ◽  
Molecular Target ◽  
Cooperative Interaction ◽  
Effective Drug ◽  
Rna Dependent Rna Polymerase ◽  
Protein Target ◽  
Ternary Complex Formation ◽  
Structural Insights

<p>While an FDA approved drug Ivermectin was reported to dramatically reduce the cell line of SARS-CoV-2 by ~5000 folds within 48 hours, the precise mechanism of action and the COVID-19 molecular target involved in interaction with this in-vitro effective drug are unknown yet. Among 12 different COVID-19 targets studied here, the RNA dependent RNA polymerase (RdRp) with RNA and Helicase NCB site show the strongest affinity to Ivermectin amounting -10.4 kcal/mol and -9.6 kcal/mol, respectively. Molecular dynamics of corresponding protein-drug complexes reveals that the drug bound state of RdRp with RNA has better structural stability than the Helicase NCB site, with MM/PBSA free energy of -135.2 kJ/mol, almost twice that of Helicase (-76.6 kJ/mol). The selectivity of Ivermectin to RdRp is triggered by a cooperative interaction of RNA-RdRp by ternary complex formation. Identification of the target and its interaction profile with Ivermectin can lead to more powerful drug designs for COVID-19 and experimental exploration. </p>

Equilibrium Studies of Binary and Ternary Complexes of Palladium(II) Involving Amino Acids

1993 ◽  
Vol 58 (5) ◽  
pp. 1103-1108 ◽  
Author(s):  
Mohamed M. Shoukry ◽  
Eman M. Shoukry
Keyword(s):  
Amino Acids ◽  
Relative Stability ◽  
Ternary Complex ◽  
Formation Constants ◽  
Ternary Complexes ◽  
Conductivity Measurements ◽  
Equilibrium Studies ◽  
Binary And Ternary Complexes ◽  
Binary Complexes

The formation constants of the binary and ternary complexes of palladium(II) with diethylenetriamine and amino acids as ligands have been determined potentiometrically at 25 °C in 0.1 M NaNO3 solution. The relative stability of each ternary complex was compared with that of the corresponding binary complexes in terms of ∆logK values. The mode of chelation was ascertained by conductivity measurements.

scholarly journals Alcohol functionality in the fatty acid backbone of sphingomyelin guides the inhibition of blood coagulation

RSC Advances ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 3390-3398
Author(s):  
S. Mallik ◽  
R. Prasad ◽  
K. Das ◽  
P. Sen
Keyword(s):  
Fatty Acid ◽  
Cell Surface ◽  
Blood Coagulation ◽  
Ternary Complex ◽  
Complex Activity

Cell-surface sphingomyelin (SM) inhibits binary and ternary complex activity of blood coagulation.

scholarly journals Binding of substrate in a ternary complex of horse liver alcohol dehydrogenase.

1982 ◽  
Vol 257 (23) ◽  
pp. 14349-14358 ◽  
Author(s):  
H Eklund ◽  
B V Plapp ◽  
J P Samama ◽  
C I Brändén
Keyword(s):  
Alcohol Dehydrogenase ◽  
Ternary Complex ◽  
Horse Liver Alcohol Dehydrogenase ◽  
Liver Alcohol Dehydrogenase ◽  
Horse Liver
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