AUTHOR=Naithani Kaushal , Das Arka , Ushare Mamta , Nath Subham , Biswas Rashmita , Kundu Anirban , Ahmed Kazi Tawsif , Mohan Utpal , Bhowmik Subhendu 

TITLE=Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus with plausible application in a urinary catheter

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 12 - 2024

YEAR=2024

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1420593

DOI=10.3389/fchem.2024.1420593

ISSN=2296-2646

ABSTRACT=1,4-benzothiazine-based bisamide derivatives, a new class of antibacterial agents targeting bacterial peptide deformylase (PDF), were designed and synthesized to combat S. aureus infection. Molecular modeling of the designed molecules showed better docking scores compared to the natural product Actinonin. Bioactivity assessment identified two derivatives with promising antibacterial activity in vitro. The stability of the most active molecule, 8bE, was assessed using MD simulation. Significantly, the compound 8bE could also inhibit the S. aureus biofilm at low concentrations. Furthermore, the synthesized molecule's capability in inhibiting S. aureus biofilm formation on medical devices like urinary catheters is also demonstrated.