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Design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein from Staphylococcus aureus
- Source :
- Bioinformation
- Publication Year :
- 2021
- Publisher :
- Biomedical Informatics, 2021.
-
Abstract
- It is of interest to document the design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein (PDB ID: 3VOB) from Staphylococcus aureus for antimicrobial applications. We report the quantitative structure function data in this context.
- Subjects :
- Stereochemistry
2-Methylxanthen-9-one
Protein Data Bank (RCSB PDB)
Context (language use)
macromolecular substances
medicine.disease_cause
DFT
01 natural sciences
Synthesis
03 medical and health sciences
medicine
FtsZ
030304 developmental biology
0303 health sciences
biology
010405 organic chemistry
Chemistry
Quantitative structure
General Medicine
0104 chemical sciences
Design synthesis
Docking (molecular)
Staphylococcus aureus
docking
biology.protein
antimicrobial
Research Article
Subjects
Details
- ISSN :
- 09732063 and 09738894
- Volume :
- 17
- Database :
- OpenAIRE
- Journal :
- Bioinformation
- Accession number :
- edsair.doi.dedup.....48c40a655cfca8932ddc49a27118016b
- Full Text :
- https://doi.org/10.6026/97320630017393