A dual functional inhibitory molecule to combat GyrA-ParC and associated mutants in fluoroquinolone-resistant Shigella flexneri causing shigellosis: an ML guided and quantum simulation-based in silico approach (opens in new tab)

Shigellosis is a significant threat to global public health, with an estimated 188 million cases resulting in high death rates, with the highest burden among children under 5 years old living in low and middle-income countries. The major treatment options historically have been fluoroquinolones, most commonly ciprofloxacin, and other antibiotics like azithromycin and third-generation cephalosporins. Fluoroquinolone-resistant S. flexneri poses an increased risk of causing disease globally and ...