Đánh giá khả năng gắn kết in silico giữa các kháng sinh cephalosporin thế hệ 5 với PBP2a bình thường và đột biến của MRSA

Abstract

The in silico mutations on the active site of PBP2a of MRSA were created by Sybyl-X 2.0 software, and further resulted in in silico 95 point-mutant of PBP2a. The docking studies between two 5'h generation cephalosporins, ceftaroline and ceftobiprole in name, with original and mutants PBP2a were performed by LeadIT 2.0 software. The mutant strains of PBP2a indicated the medium and high resistant ability to cephalosporin antibiotics, especially at position Ser403 and Asn464, which are in the active site of PBP2a and play an important role in the formation of resistant strains of MRSA.