Spectrochemical, medicinal, and toxicological studies of moxifloxacin and its novel analogs: a quantum chemistry and drug discovery approach

RSC Advances 2026 Open access

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Authors: Md. Al-Amin, Md. Rakib Hossin Mallik, Md Shohanur Rahman, Abdullah Al Noman, Sarmin Akther Tithy, Omme Samia, Monir Uzzaman
DOI: 10.1039/d5ra07315d
Cited by: 2
References: 119

Abstract

) when compared to all examined analogues. MOX13 exhibits a notably pronounced dipole moment (14.88 debye), alongside an exceptional degree of reactivity. Investigations utilizing molecular dynamics were conducted to assess the stability of receptor-ligand complexes by analyzing RMSD, RMSF, H-bonds, and SASA, suggesting that the ligand would remain bound to its original site.

Fields of Study & Subjects

Cancer therapeutics and mechanisms DNA and Nucleic Acid Chemistry Metal complexes synthesis and properties

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
2
Pages
1802–1819
Publication date
1 January 2026
Language
EN