| Autor: |
Assad M; College of Biological Sciences and Medical Engineering, Donghua University, 2999 North Ren Min Road, Shanghai 201620, China.; Department of Chemistry, Government Graduate Islamia College for Women Cantt Lahore, Lahore 54000, Pakistan., Paracha RN; Department of Chemistry, Thal University Bhakkar, Bhakkar 30000, Pakistan., Siddique AB; Institute of Chemistry, University of Sargodha, Sargodha 40100, Pakistan., Shaheen MA; Institute of Chemistry, University of Sargodha, Sargodha 40100, Pakistan., Ahmad N; Department of Pharmacy, Comsats University Islamabad, Lahore Campus, Lahore 54000, Pakistan., Mustaqeem M; Institute of Chemistry, University of Sargodha, Sargodha 40100, Pakistan., Kanwal F; School of Biomedical Engineering, Shanghai Jiaotong University, Shanghai 200030, China., Mustafa MZU; Institute of Chemistry, University of Sargodha, Sargodha 40100, Pakistan., Rehman MFU; Institute of Chemistry, University of Sargodha, Sargodha 40100, Pakistan., Fatima S; Research Center, The Fourth Hospital of Hebei Medical University, Shijiazhuang 050011, China., Lu C; College of Biological Sciences and Medical Engineering, Donghua University, 2999 North Ren Min Road, Shanghai 201620, China. |
| Abstrakt: |
The present study reports the one-step synthesis of several 3-formyl-4-hydroxycouramin-derived enamines ( 4a - 4i ) in good yields (65-94%). The characterization of the synthesized compounds was carried out via advanced analytical and spectroscopic techniques, such as melting point, electron impact mass spectrometry (EI-MS), 1 H-NMR, 13 C-NMR, elemental analysis, FTIR, and UV-Visible spectroscopy. The reaction conditions were optimized, and the maximum yield was obtained at 3-4 h of reflux of the reactants, using 2-butanol as a solvent. The potato disc tumor assay was used to assess Agrobacterium tumefaciens -induced tumors to evaluate the anti-tumor activities of compounds ( 4a - 4i ), using Vinblastine as a standard drug. The compound 4g showed the lowest IC 50 value (1.12 ± 0.2), which is even better than standard Vinblastine (IC 50 7.5 ± 0.6). For further insight into their drug actions, an in silico docking of the compounds was also carried out against the CDK-8 protein. The binding energy values of compounds were found to agree with the experimental results. The compounds 4g and 4h showed the best affinities toward protein, with a binding energy value of -6.8 kcal/mol. |
