2023
DOI: 10.21203/rs.3.rs-3327383/v1
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Lead generation of UPPS inhibitors targeting MRSA: Using 3D- QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations

Basma M. Qandeel,
Samar Mowafy,
Khaled Abouzid
et al.

Abstract: Due to the threat of emerging antibiotic resistance, the quest for new antibacterial agents remains an essential endeavor in drug discovery. Bacterial resistance can be combated by using inhibitors that work on a different mechanism than current antibiotics thus avoiding cross-resistance by targeting new enzymes in the same pathway. Undecaprenyl Pyrophosphate Synthase (UPPS) is a vital target enzyme located in the very early steps of bacterial cell wall biosynthesis. UPPS inhibitors were found to have anti-bac… Show more

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