Raman optical activity of the antibiotic vancomycin bound to its biological target

The glycopeptide vancomycin has an antimicrobial effect by halting the synthesis of bacterial cell-wall binding D-Ala-D-Ala peptide motif precursor Lipid II. This interaction been extensively investigated using techniques such as XRD and NMR. Here, complexed with Ala-γGlu-Lys-D-Ala-D-Ala (the pentapeptide part II) is studied means Raman optical activity (ROA) spectroscopy. Where for conventional structural elucidation techniques, direct study a drug-biological target complex routine, it not case ROA technique. Through experimental recordings DFT-level spectral calculations complex, was found that specifically probes conformation vancomycin, even in presence biological target. As such, could be determined no noticeable conformational changes are involved when Ala-γGlu-Lys-D-Ala-D-Ala. work showcases interest directly examining interacting systems conformationally ROA, potentially complementing and/or confirming findings from other studies, eventually contributing to more complete understanding structure–activity relationship drug compound.