Exploring the interaction of curcumin with β-cyclodextrin and its binding with DNA: A combined spectroscopic and molecular docking study

• Published in: International journal of biological macromolecules 2024-12, Vol.282 (Pt 5), p.137238, Article 137238
• Main Authors: Alghamdi, Waad A., Alterary, Seham S., Alarifi, Abdullah, Ramu, Ramith, Khan, Mohd Shahnawaz, Afzal, Mohd
• Format: Article
• Language: English
• Subjects: Animals; beta-Cyclodextrins - chemistry; Cattle; Circular Dichroism; Curcumin - chemistry; Curcumin - metabolism; Curcumin - pharmacology; Cyclodextrin; DNA - chemistry; DNA - metabolism; DNA binding; Drug delivery system; Fluorescence spectroscopy; Molecular Docking Simulation; Molecular dockings; Spectrometry, Fluorescence; Spectrum Analysis
• ISSN: 0141-8130; 1879-0003; 1879-0003
• DOI: 10.1016/j.ijbiomac.2024.137238

At present, a major effort in biophysical studies has been paid towards exploring the interactions and release of therapeutic payloads to the specific site leaving behind healthy cells unaffected and hence, lower the drug-induced toxicity. For the purpose, interaction of β-bound CUR with calf thymus DNA (ctDNA) has been examined intensely using a series of biophysical methods like absorption, steady state fluorescence emission, and circular dichroism together with molecular docking study. The experimental analysis divulge that CUR interacts with both β–CD (although with different molar ratio) and DNA. However, the binding affinity of CUR with the target (DNA) is higher than it does with the β–CD. When β–CD-carried (10 mM) CUR (μM) (inclusion complex) comes near DNA (15–372 μM), CUR gets out from β–CD's void and approaches to binds with the DNA. The relocation of the probe occurred due to competitive binding of the CUR between β–CD and the DNA. The present investigation may provide a simple yet probable route for the transfer of encapsulated therapeutic payload of β–CD to the most relevant biomolecular target DNA. •Study the relative binding affinity of the curcumin with β–CD and the DNA double helix.•Release of CUR from the cavity of β–CD and binds to DNA.•Targeted drug delivery of dye towards the DNA via encapsulation within the cyclodextrin void.•Validation by molecular docking studies.