Design, synthesis, antimicrobial and antioxidant evaluation, cytotoxicity assessment, and molecular dynamics-based computational studies of novel PABA analogues as dual DHPS/DHFR inhibitors

Key Points

• The aim is to develop new PABA-based hybrids that act as dual inhibitors of DHPS and DHFR.
• Synthesis of novel PABA-based compounds.
• Evaluation of antimicrobial activity against resistant strains.
• Computational studies using molecular dynamics and cytotoxicity assessments.
• These PABA analogues displayed significant antimicrobial activity against resistant strains.
• Computational studies supported their potential as DHPS/DHFR inhibitors.