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

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.

SUBMITTER: Ranganatha VL

PROVIDER: S-EPMC8131576 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature

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

Ranganatha V Lakshmi VL C Mallikarjunaswamy M S Jagadeep Chandra JC Ramu Ramith R Shirahatti Prithvi S PS Kumar Naveen N Bp Sowmya S Khamees Hussien Ahmed HA Madegowda Mahendra M Khanum Shaukath Ara SA

Bioinformation 20210331 3

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. ...[more]

PMID: 34092960

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