2023
DOI: 10.3390/pr11092740
|View full text |Cite
|
Sign up to set email alerts
|

Exploring Partial Structural Disorder in Anhydrous Paraxanthine through Combined Experiment, Solid-State Computational Modelling, and Molecular Docking

Jolanta Natalia Latosińska,
Magdalena Latosińska,
Janez Seliger
et al.

Abstract: Paraxanthine (PX), a major metabolite of caffeine, a protective agent against Alzheimer’s and Parkinson’s disease, and a promising drug for the treatment of post-COVID 2019 anosmia and ageusia, has been studied in the solid state and protein–ligand complex. Partial disorder in PX, caused by the methyl group at the N(7) position, has been modelled and discussed. The relationship between the unusual structural disorder and the propensity to form a specific system of non-covalent bonds was analyzed. Three 1H-14N … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
2

Relationship

1
1

Authors

Journals

citations
Cited by 2 publications
(1 citation statement)
references
References 78 publications
0
1
0
Order By: Relevance
“…X-ray crystallography typically cannot directly determine the positions of light atoms at standard resolutions. The full description of the clustering technique can be found in our previous papers [ 63 , 69 , 70 ].…”
Section: Methodsmentioning
confidence: 99%
“…X-ray crystallography typically cannot directly determine the positions of light atoms at standard resolutions. The full description of the clustering technique can be found in our previous papers [ 63 , 69 , 70 ].…”
Section: Methodsmentioning
confidence: 99%