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- Title
Metal Complexes of Curcumin: A Comprehensive Approach to Design, Synthesis, Characterization and Assessment of Anti-tubercular Activity.
- Authors
Das, Paramita; H. M., Yamuna; M., Harshashree; Dang, Raman
- Abstract
Background: The primary challenge facing Tuberculosis (TB) is the growing prevalence of drug resistance and the hepatotoxicity secondary effects of first and second-line anti-TB treatments have reignited interest in exploring new metal drug complexes as possible sources of anti-TB medications. Aim: To perform in silico studies for Curcumin-metal complexes, synthesis and evaluate their antitubercular activity and cytotoxicity. Materials and Methods: Designed metal complexes were docked against 2NSD and performed ADMET studies. Based on binding affinity, a series of Curcumin-metal complexes were synthesized, characterized by IR, NMR, MASS, P-XRD and the antitubercular activity was evaluated by MABA and MTT assay for cytotoxicity investigations. Results and Discussion: The binding energies ranged from -8.0 to -10.1 ‘kcal/mol’. At -10.1 ‘kcal/ mol’, the Curcumin-Cu complex (C1) exhibited the best binding. The synthesized compounds was evaluated against Mycobacterium tuberculosis (H37Rv) using the MABA assay. Curcumin-Cu complex (C1) showed the highest activity and was the most sensitive at 0.8 µg/mL and showed less toxicity with an IC50 of 10.0 and a selectivity index of 4.0. Cytotoxicity was evaluated by the ATCC CCL-81 cell line. Conclusion: Therefore, we can conclude that the molecular hit will be a good lead to develop novel therapies for tuberculosis treatment.
- Subjects
MYCOBACTERIUM tuberculosis; CYTOTOXINS; METAL complexes; CHEMICAL synthesis; BINDING energy
- Publication
Indian Journal of Pharmaceutical Education & Research, 2024, Vol 58, ps963
- ISSN
0019-5464
- Publication type
Article
- DOI
10.5530/ijper.58.3s.96