Synthesis of Mn-ofloxacin complex, experimental and in silico DNA binding evaluation, biological activity assessment

Nasiri, Negar; Hosseinzadeh, Leila; Vahedpour, Teymour; Alizadeh, Ali; Ahmadi, Farhad

doi:10.1080/15257770.2022.2117378

Cited by 2 publications

(2 citation statements)

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“…The studies showed cytotoxic activity due to the formation of the above‐mentioned complex. Further, spectroscopic, cyclic voltammetry and computational studies demonstrated the effective binding of ofloxacin to DNA [9] …”

Section: Introductionmentioning

confidence: 99%

“…Further, spectroscopic, cyclic voltammetry and computational studies demonstrated the effective binding of ofloxacin to DNA. [9] The relationship between levomefloxacin/norfloxacin and Hb has been investigated thoroughly by spectroscopic and computational studies. A decline in fluorescence intensity indicated the interaction of drugs with Hb.…”

Section: Introductionmentioning

confidence: 99%

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Employing Spectroscopic, Electrochemical, and In Silico Research to Investigate the Interaction of Ofloxacin, Antibacterial Drug With the Haemoglobin

Yadav,

Sewariya,

Babu Singh

et al. 2024

ChemistrySelect

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Understanding the intricate interplay between proteins and ligands is pivotal for rational drug development. This study investigates the binding of Ofloxacin to Hb using diverse biophysical techniques: fluorescence spectroscopy, UV‐visible spectroscopy, molecular docking, molecular dynamics simulations, and electrochemical analysis. Spectrophotometric data confirm a static quenching mechanism in ofloxacin‐Hb binding. Notably, ofloxacin‐Hb binding exhibits a significant change in free energy (−17.134 kJ/mol) and strong affinity via molecular docking was also observed (−8.2 kcal/mol). Molecular dynamics simulations validated these results, showing a change in free energy of −91.093 kJ/mol with minimal error of 13.508 kJ/mol, supporting a plausible interaction. Additionally, cyclic voltammetry elucidated dynamic interactions between Hb and ofloxacin. This comprehensive approach provides insights into drug‐protein binding dynamics, crucial for refining drug development strategies.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%