Sulfanilamide, a widely used antibacterial drug, has been brought into the gas phase using laser ablation techniques, and its structure has been characterized in the isolated conditions of a supersonic...
Sulfanilamide (SA, 4-aminobenzenesulfonamide) is an antibacterial drug that interferes with the conversion of paraaminobenzoic acid (PABA) to folate, preventing the synthesis of folic acid (vitamin B9), essential in multiple carbon transfer reactions. Due to its importance, in this work, we characterize sulfanilamide in the isolation conditions of a supersonic expansion using Fourier transform microwave techniques assisted by laser ablation. A single conformer of the bare molecule, stabilized by an N-H•••O=S intramolecular interaction of the sulfonyl group, has been detected. Because the docking process is controlled by the difference in Gibbs free energy between the ligands solvated by the extracellular medium and the ligand interacting with the receptor's active site, we have also studied the sulfanilamide's microsolvation process. Interestingly, a single water molecule is enough to trigger a conformational switch.
6-Aminopenicillanic acid (6-APA) is one of the essential intermediates in synthesizing semisynthetic and naturally occurring penicillins. We have transferred 6-APA into the gas phase using laser ablation techniques and characterized its conformational panorama using chirped-pulse Fourier transform microwave (LA-CP-FTMW) spectroscopy. The spectroscopic parameters derived from the spectrum analysis conclusively identify the existence of four conformers of 6-APA. The 14N nuclear quadrupole coupling constants have been analyzed, allowing an accurate structural determination. The observed structures correlate nicely with the biological function of 6-APA.
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