Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography.

ABSTRACT: Applications of 9-aminoacridine (9aa) and its derivatives span fields such as chemistry, biology, and medicine, including anticancer and antimicrobial activities. Protonation of such molecules can alter their bioavailability as weakly basic drugs like aminoacridines exhibit reduced solubility at high pH levels potentially limiting their effectiveness in patients with elevated gastric pH. In this study, we analyse the influence of protonation on the electronic characteristics of the molecular organic crystals of 9-aminoacridine. The application of quantum crystallography, including aspherical atom refinement, has enriched the depiction of electron density in the studied systems and non-covalent interactions, providing more details than previous studies. Our experimental results, combined wi

SUBMITTER: Pawledzio S 

PROVIDER: S-EPMC10859733 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature