Synthesis and characterization of new Schiff-bases as Methicillin resistant Staphylococcus aureus (MRSA) inhibitors

• Published in: Journal of molecular structure Vol. 1252; p. 132152
• Main Authors: Bendre, Ratnamala S., Patil, Rahul D., Patil, Pramod N., Patel, Harun M., Sancheti, Rakesh S.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.03.2022
• Subjects: Anti-MRSA; MIC and docking; Schiff-base; Anti-MRSA; Schiff-base; MIC and docking
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2021.132152

•Design and synthesis of novel Schiff-bases using various heterocyclic amines.•Spectral characterization of all compounds.•In vitro, Anti-MRSA study with potential results.•Molecular docking with strong binding interactions with FabI enzyme of S. aureus. Methicillin-resistant Staphylococcus aureus (MRSA) is the most common and widespread antibiotic-resistant species. Novel Schiff-bases (2–8) have been synthesized and characterized using FTIR, 1H NMR, 13C NMR and ESI-Mass spectroscopy. An in vitro anti-MRSA study with the ATCC 43300 strain revealed that compounds 2, 4 and 6 inhibited the MRSA strain significantly (MIC 256–512 µg/mL). The molecular docking study against the FabI enzyme from S. aureus indicated that potent compound 6 has significant docking score (-8.756 Kcal/mol) and forms hydrogen bonding and pi-pi stacking with Tyr157 and additional hydrogen bond with Ser197. All the tested derivatives showed lower toxicity with IC50 values >278 µM and none of them were cytotoxic against mammalian Vero cell line. [Display omitted]