Bacterial glyoxalase I enzymes: structural and biochemical investigations

2014 ◽  
Vol 42 (2) ◽  
pp. 479-484 ◽  
Author(s):  
John F. Honek
Keyword(s):  
Metal Ion ◽  
Molecular Structures ◽  
Glyoxalase I ◽  
Structure Activity Relationships ◽  
Structure Activity

A number of bacterial glyoxalase I enzymes are maximally activated by Ni2+ and Co2+ ions, but are inactive in the presence of Zn2+, yet these enzymes will also bind this metal ion. The structure–activity relationships between these two classes of glyoxalase I serve as important clues as to how the molecular structures of these proteins control metal-activation profiles.

Structure–Activity Relationships and Identification of Optmized CC-Chemokine Receptor CCR1, 5, and 8 Metal-Ion Chelators

2013 ◽  
Vol 53 (11) ◽  
pp. 2863-2873 ◽  
Author(s):  
Alexander Chalikiopoulos ◽  
Stefanie Thiele ◽  
Mikkel Malmgaard-Clausen ◽  
Patrik Rydberg ◽  
Vignir Isberg ◽  
...  
Keyword(s):  
Chemokine Receptor ◽  
Metal Ion ◽  
Cc Chemokine ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Metal Ion Chelators

Molecular Diversity and Libraries of Structures: Synthesis and Screening

1996 ◽  
Vol 61 (2) ◽  
pp. 171-231 ◽  
Author(s):  
Markéta Rinnová ◽  
Michal Lebl
Keyword(s):  
Drug Discovery ◽  
Rational Design ◽  
Molecular Diversity ◽  
Molecular Structures ◽  
The Other ◽  
Biological Assay ◽  
Rapid Evaluation ◽  
Biological Interactions ◽  
Structure Activity Relationships ◽  
Structure Activity

Library, or molecular diversity, approaches are a progressive tool in contemporary investigation of biological interactions and drug discovery. All library approaches include certain degree of rationality and cannot be therefore classified as random or irrational techniques. Reviewed techniques are complementary to so called "rational design"; they can serve either as a tool to generate a lead, or, on the other hand, to optimize a "designed" lead by rapid evaluation of structure-activity relationships. Combinatorial approaches are based on either a random or multiple principle which enables production of large number of diverse molecular structures that can be simultaneously screened and evaluated in a biological assay to find an optimal interacting molecule.

Computational and experimental exploration of the structure-activity relationships of flavonoids as potent glyoxalase-I inhibitors

2017 ◽  
Vol 79 (2) ◽  
pp. 58-69 ◽  
Author(s):  
Qosay A. Al-Balas ◽  
Mohammad A. Hassan ◽  
Nizar A. Al-Shar'i ◽  
Tamam El-Elimat ◽  
Ammar M. Almaaytah
Keyword(s):  
Glyoxalase I ◽  
Structure Activity Relationships ◽  
Structure Activity

scholarly journals The Ribosome-Binding Mode of Trichothecene Mycotoxins Rationalizes Their Structure—Activity Relationships

2021 ◽  
Vol 22 (4) ◽  
pp. 1604
Author(s):  
Weijun Wang ◽  
Yan Zhu ◽  
Nadine Abraham ◽  
Xiu-Zhen Li ◽  
Matthew Kimber ◽  
...  
Keyword(s):  
Metal Ion ◽  
Large Family ◽  
Binding Pocket ◽  
Binding Mode ◽  
Epoxide Ring ◽  
Head Blight ◽  
Structure Activity Relationships ◽  
Existing Structures ◽  
Structure Activity ◽  
Food And Feed

Trichothecenes are the most prevalent mycotoxins contaminating cereal grains. Some of them are also considered as the virulence factors of Fusarium head blight disease. However, the mechanism behind the structure-activity relationship for trichothecenes remains unexplained. Filling this information gap is a crucial step for developing strategies to manage this large family of mycotoxins in food and feed. Here, we perform an in-depth re-examination of the existing structures of Saccharomyces cerevisiae ribosome complexed with three different trichothecenes. Multiple binding interactions between trichothecenes and 25S rRNA, including hydrogen bonds, nonpolar pi stacking interactions and metal ion coordination interactions, are identified as important binding determinants. These interactions are mainly contributed by the key structural elements to the toxicity of trichothecenes, including the oxygen in the 12,13-epoxide ring and a double bond between C9 and C10. In addition, the C3-OH group also participates in binding. The comparison of three trichothecenes binding to the ribosome, along with their binding pocket architecture, suggests that the substitutions at different positions impact trichothecenes binding in two different patterns. Moreover, the binding of trichothecenes induced conformation changes of several nucleotide bases in 25S rRNA. This then provides a structural framework for understanding the structure-activity relationships apparent in trichothecenes. This study will facilitate the development of strategies aimed at detoxifying mycotoxins in food and feed and at improving the resistance of cereal crops to Fusarium fungal diseases.

Structure-activity relationships in the acronycine and benzo[b]acronycine series: Role of the pyran ring

Planta Medica ◽  
2008 ◽  
Vol 74 (09) ◽  
Author(s):  
Q Do ◽  
H Doan Thi Mai ◽  
T Gaslonde ◽  
B Pfeiffer ◽  
S Léonce ◽  
...  
Keyword(s):  
Pyran Ring ◽  
Structure Activity Relationships ◽  
Structure Activity
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