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Thereby, there is an urgent need to discover antibacterial drugs with novel mechanism. Here, novel psoralen derivatives had been designed and synthesized by a scaffold hopping strategy. Among these targeted twenty\u2010five compounds, compound <jats:bold>ZM631<\/jats:bold> showed the best antibacterial activity against methicillin\u2010resistant <jats:italic>S. aureus<\/jats:italic> (MRSA) with the low MIC of 1 \u03bcg\/mL which is 2\u2010fold more active than that of the positive drug gepotidacin. Molecular docking study revealed that compound <jats:bold>ZM631<\/jats:bold> fitted well in the active pockets of bacterial <jats:italic>S. aureus<\/jats:italic> DNA gyrase and formed a key hydrogen bond binding with the residue ASP\u20101083. These findings demonstrated that the psoralen scaffold could serve as an antibacterial lead compound for further drug development against multidrug\u2010resistant bacterial infections.<\/jats:p>","DOI":"10.1002\/cbdv.202302048","type":"journal-article","created":{"date-parts":[[2024,1,24]],"date-time":"2024-01-24T03:02:16Z","timestamp":1706065336000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Synthesis and Antibacterial Evaluation of Novel Psoralen Derivatives against Methicillin\u2010Resistant <i>Staphylococcus aureus<\/i> (MRSA)"],"prefix":"10.1002","volume":"21","author":[{"given":"Hang","family":"Yang","sequence":"first","affiliation":[{"name":"School of Chemical and Environmental Engineering Shanghai Institute of Technology  100 Haiquan Road Shanghai 201418 The People's Republic of China"},{"name":"School of Pharmacy Second Military Medical University  325 Guohe Road Shanghai 200433 the People's Republic 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