Novel amodiaquine analogues to treat cervical cancer and microbial infection in the future.
Shamsul IslamSohail Anjum ShahzadMuhammad Hassham Hassan Bin AsadAbdul MannanPublished in: Future medicinal chemistry (2023)
Aim: To synthesize and explore the therapeutic potential of amodiaquine analogues. Methodology: New promising analogues were synthesized by nucleophilic substitution at the 4-amino position and were characterized using 1 H NMR, 13 C NMR and FT-IR spectroscopic techniques. Results: Antibacterial and cytotoxic screening revealed the high potency of these compounds; analogue AS1 had a 34.3 ± 0.18 mm zone of inhibition against Pseudomonas aeruginosa . Excellent activity against fungal strains, that is, Candida albicans (39.6 ± 0.23 mm) was shown by analogue AS2. Analogue AS1 had a IC 50 = 4.2 μg/ml against the HeLa cell line (cervical cancer) and binding energy against 5GWK (-8.32688 kcal/mol), 1PFK (-6.4780 kcal/mol) and 1TUP (-6.5279 kcal/mol) in the docking study. Conclusion: The obtained results reveal that these analogues exhibit potent antimicrobial and cytotoxic potential.
Keyphrases
- molecular docking
- candida albicans
- pseudomonas aeruginosa
- molecular dynamics simulations
- biofilm formation
- structure activity relationship
- magnetic resonance
- high resolution
- staphylococcus aureus
- escherichia coli
- single cell
- cystic fibrosis
- solid state
- microbial community
- anti inflammatory
- molecular dynamics
- protein protein
- transcription factor
- dna binding
- acinetobacter baumannii
- binding protein
- cell death