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Online Journal of Veterinary Research©
(Including Medical and Laboratory Research)
26 (9): 706-714, 2022.
Synthesis of β-lactams with or without selenium for inhibition of staphylococcus aureus.
Tanzeer Kaur PhD, Sonal Jamwal MSc, Neeraj Khullar PhD, SS Bari PhD
Panjab University, Chandigarh
Kaur T, Jamwal S, Khullar N, Bari SS., Synthesis of β-lactams with or without selenium for inhibition of staphylococcus aureus, Onl J Vet Res., (9): 706-716, 2022. Increased bacterial resistance to β-lactam antibiotics may be countered by altered penicillin binding proteins. We report binding interactions of β-lactams with altered penicillin binding serine thryonine kinase proteins (PASTA) verified by docking simulations. Our 2D β-lactams were docked after energy minimization to exhibit strong interaction with PBP 2b (2WAF) BL2 and PASTA 3PY9 binding with BL1, BL2, BL6 and BL7 free binding energy of -6.501, -6.802 and -6.901 kcal/mol, respectively, greater than penicillin controls. Selenium boosted hydrophobic binding of our β-lactams and reduced β-lactam nephrotoxicity. Results were verified by In vitro disk bacterial inhibition comparable to penicillin.
KEY WORDS- β-lactams, Penicillin binding proteins, staphylococcus aureus, Penicillin, Docking, In vitro inhibition