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Design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein from Staphylococcus aureus

Authors :
Hussien Ahmed Khamees
Jagadeep Chandra S
Prithvi S. Shirahatti
V. Lakshmi Ranganatha
Shaukath Ara Khanum
C. Mallikarjunaswamy
Naveen Kumar
Mahendra Madegowda
Ramith Ramu
Sowmya Bp
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.

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