13C NMR investigations of phenol-triethylamine complexes: The influence of hydrogen bond interaction on the electronic structure of phenols

1981 ◽  
Vol 16 (3) ◽  
pp. 173-176 ◽  
Author(s):  
Marek Ilczyszyn ◽  
Zdzisław Latajka ◽  
Henryk Ratajczak
Keyword(s):  
Hydrogen Bond ◽  
Electronic Structure ◽  
13C Nmr ◽  
Hydrogen Bond Interaction ◽  
Bond Interaction

scholarly journals Atomic-level insights into the activation of nitrogen via hydrogen-bond interaction toward nitrogen photofixation

Chem ◽  
2021 ◽  
Author(s):  
Yue Xin ◽  
Sanmei Wang ◽  
Haibo Yuan ◽  
Tingting Hou ◽  
Wenkun Zhu ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Atomic Level ◽  
Hydrogen Bond Interaction ◽  
Bond Interaction

Fine-tuning of microsolvation and hydrogen bond interaction regulates substrate channelling in the course of flavonoid biosynthesis

2016 ◽  
Vol 18 (15) ◽  
pp. 10337-10345 ◽  
Author(s):  
Julien Diharce ◽  
Jérôme Golebiowski ◽  
Sébastien Fiorucci ◽  
Serge Antonczak
Keyword(s):  
Hydrogen Bond ◽  
Natural Compounds ◽  
Flavonoid Biosynthesis ◽  
Fine Tuning ◽  
Efficient Production ◽  
Substrate Channeling ◽  
Metabolite Formation ◽  
Hydrogen Bond Interaction ◽  
Bond Interaction ◽  
Substrate Channelling

In the course of metabolite formation, some multienzymatic edifices, the so-called metabolon, are formed and lead through substrate channeling to a more efficient production of the natural compounds.

scholarly journals Antifungal Activity of Phenyl Derivative of Pyranocoumarin fromPsoralea corylifoliaL. Seeds by Inhibition of Acetylation Activity of Trichothecene 3-O-Acetyltransferase (Tri101)

2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Sangeetha Srinivasan ◽  
D. V. L. Sarada
Keyword(s):  
Hydrogen Bond ◽  
Antifungal Activity ◽  
Defense Mechanism ◽  
Petroleum Ether Extract ◽  
Ligand Docking ◽  
Molecular Formula ◽  
Trichothecene Mycotoxin ◽  
Hydrogen Bond Interaction ◽  
Phenyl Derivative ◽  
Bond Interaction

Antifungal activity of petroleum ether extract ofPsoralea corylifoliaL. seed, tested againstFusariumsp. namely,Fusarium oxysporum, Fusarium moniliforme,andFusarium graminearum, was evaluated by agar well diffusion assay. The chromatographic fractionation of the extract yielded a new phenyl derivative of pyranocoumarin (PDP). The structure of the PDP was confirmed using spectroscopic characterization (GC-MS, IR, and NMR), and a molecular mass ofm/z414 [M-2H]+with molecular formula C27H28O4was obtained. The PDP had a potent antifungal activity with a minimum inhibitory concentration of 1 mg/mL againstFusariumsp. Molecular docking using Grid-Based Ligand Docking with Energetics (GLIDE, Schrodinger) was carried out with the Tri101, trichothecene 3-O-acetyltransferase, as target protein to propose a mechanism for the antifungal activity. The ligand PDP showed bifurcated hydrogen bond interaction with active site residues at TYR 413 and a single hydrogen bond interaction at ARG 402 with a docking score −7.19 and glide energy of −45.78 kcal/mol. This indicated a strong binding of the ligand with the trichothecene 3-O-acetyltransferase, preventing as a result the acetylation of the trichothecene mycotoxin and destruction of the “self-defense mechanism” of theFusariumsp.

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