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  2. Identification of small molecule inhibitors for the Brachyspira pilosicoli glutamate racemase (Bp-MurI) enzyme using a computational and experimental approach

Identification of small molecule inhibitors for the Brachyspira pilosicoli glutamate racemase (Bp-MurI) enzyme using a computational and experimental approach

  • Sci Rep. 2026 Apr 2. doi: 10.1038/s41598-026-46506-w.
Ravi Kant 1 2 Roberto La Ragione 3 4 Myron Christodoulides 5
Affiliations

Affiliations

  • 1 Molecular Microbiology, School of Clinical and Experimental Sciences, Faculty of Medicine, University of Southampton, Southampton, SO16 6YD, England.
  • 2 Faculty of Applied Sciences & Biotechnology, Shoolini University, Solan, 173229, Himachal Pradesh, India.
  • 3 School of Biosciences, Faculty of Health and Medical Sciences, University of Surrey, Edward Jenner Building, Guildford, GU2 7XH, England.
  • 4 School of Veterinary Medicine, Faculty of Health and Medical Sciences, University of Surrey, Guildford, GU2 7AL, England.
  • 5 Molecular Microbiology, School of Clinical and Experimental Sciences, Faculty of Medicine, University of Southampton, Southampton, SO16 6YD, England. mc4@soton.ac.uk.
Keywords

Brachyspira pilosicoli; Maybridge; computational virtual screening; glutamate racemase; intestinal spirochaetosis; molecular docking; molecular dynamics simulations; small molecule inhibitors.

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