Ferrocene-Based Hybrid Drugs as Potential Anticancer and Antibacterial Therapeutic Agents for Incorporation into Nanocarriers: In Silico, In Vitro, Molecular Docking Evaluations DOI Creative Commons
Sijongesonke Peter, Eric Morifi,

Mutshinyalo Nwamadi

и другие.

Pharmaceutics, Год журнала: 2025, Номер 17(6), С. 722 - 722

Опубликована: Май 30, 2025

Background/Objectives: Cancer and bacterial cases are increasing. Hence, new drugs to treat these diseases paramount. Ferrocene-based hybrid compounds were synthesizedas potential cancer bacteria therapeutics. Methods: The synthesized characterized via FTIR, NMR, LC-MS evaluated against different cells strains. Moreover, computational studies of conducted using several silico tools. Results: Among the compounds, 10 was most promising compound, displaying anticancer activity with IC50 values between 42.42 45.37 50.64 73.37 µg/mL HeLa CHO cells, respectively, a selective index greater than one on cells. Compounds 22–26 displayed antibacterial MIC value 7.8125 strains in vitro. results revealed that this compound has strong binding affinities for 4qtb, 3eqm, 2w3l cervical proteins, exhibiting energies −7.3, −8.7, 7.4 kcal/mol, respectively. Furthermore, showed pharmacokinetics drug-like properties, including high GI absorption, moderate water solubility, favoring oral administration route, nontoxicity, is P-gp substrate. Conclusions: findings obtained study illustrate therapeutics need be explored. also contained functionalities relevant incorporating into nanocarriers improve their biological activities further. Therefore, further recommended effective reinforce findings.

Язык: Английский

Ferrocene-Based Hybrid Drugs as Potential Anticancer and Antibacterial Therapeutic Agents for Incorporation into Nanocarriers: In Silico, In Vitro, Molecular Docking Evaluations DOI Creative Commons
Sijongesonke Peter, Eric Morifi,

Mutshinyalo Nwamadi

и другие.

Pharmaceutics, Год журнала: 2025, Номер 17(6), С. 722 - 722

Опубликована: Май 30, 2025

Background/Objectives: Cancer and bacterial cases are increasing. Hence, new drugs to treat these diseases paramount. Ferrocene-based hybrid compounds were synthesizedas potential cancer bacteria therapeutics. Methods: The synthesized characterized via FTIR, NMR, LC-MS evaluated against different cells strains. Moreover, computational studies of conducted using several silico tools. Results: Among the compounds, 10 was most promising compound, displaying anticancer activity with IC50 values between 42.42 45.37 50.64 73.37 µg/mL HeLa CHO cells, respectively, a selective index greater than one on cells. Compounds 22–26 displayed antibacterial MIC value 7.8125 strains in vitro. results revealed that this compound has strong binding affinities for 4qtb, 3eqm, 2w3l cervical proteins, exhibiting energies −7.3, −8.7, 7.4 kcal/mol, respectively. Furthermore, showed pharmacokinetics drug-like properties, including high GI absorption, moderate water solubility, favoring oral administration route, nontoxicity, is P-gp substrate. Conclusions: findings obtained study illustrate therapeutics need be explored. also contained functionalities relevant incorporating into nanocarriers improve their biological activities further. Therefore, further recommended effective reinforce findings.

Язык: Английский

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