Penicillin Analogues as Inhibitors of Penicillin Binding Protein Screening Study Using Molecular Docking

Author(s)	Anandsing F. Patil, Vijay S. Patil, Sandip S. Patil
Country	India
Abstract	Antibiotics are medicines used to prevent and treat bacterial infections. They work by either killing bacteria or stopping their growth, helping the body’s immune system fight infections more effectively. This discovery revolutionized medicine and has saved millions of lives by treating deadly diseases. Penicillin is a β-lactam antibiotic that kills bacteria by inhibiting cell wall synthesis. Penicillin binds to enzymes called penicillin-binding proteins. Here different Penicillin analogues are tested for their binding affinity to Penicillin binding protein. The role of organic chemistry was found to be crucial in determining the best possible lead compound. The effect of substituents was analysed and was related to binding energy. The aromatic ring as a substituent was found to form more stable complex when compared to aliphatic chain substituent. Longer chains are less effective than short chain of substituents. The study provides insight at molecular perspective.
Keywords	PBPs, β-lactam Ring, Binding Energy
Published In	Conference / Special Issue (Volume 8 \| Issue 1) - National Conference on Sciences, Pharmacy, Humanities & Commerce, Engineering for Research and Education (SPHERE-2025) (February 2026)
Published On	2026-02-01

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