| 000 | 02283nam a2200265Ia 4500 | ||
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| 003 | MX-MdCICY | ||
| 005 | 20250625162455.0 | ||
| 040 | _cCICY | ||
| 090 | _aB-20811 | ||
| 245 | 1 | 0 | _aPhotophysical, Theoretical, Pharmacogenomics And Biological Studies Of Synthesized New Symmetrical Diol Schiff Base And 4-Arylidene Curcumin Monomers |
| 490 | 0 | _vJournal of Molecular Structure, 1218, p.128491, 2020 | |
| 520 | 3 | _aThis research work was emphasized about two different new symmetrical diol monomers: (i)Schiff base monomers (1a-1d)and (ii)4-Arylidine curcumin monomers (2a, 2b). Formulations of all monomers have been deduced by elemental analysis and spectral data (FT IR, 1H NMR, 13C NMR, and GC/MS spectroscopy). Investigations on photophysical properties of monomers have been studied in THF using steady state absorption, fluorescence, and excited-state time-resolved fluorescence techniques. The chemical stability of title compounds was accomplished by DFT theory using B3LYP/3-21G?++ basis sets. All the monomers were strongly interacted with HSA a compound 2a higher negative docking score is considered as more potent. The monomers (1a-1d 2a, 2b)which that approved through docking profiles have examined their potency against A549 and cervical HeLa cancer and normal monkey kidney cells by in vitro. The compound 2a showed a highest potency against the A549 cell line with the IC50 value 18.81 percent. These results matched well with the results observed from molecular docking studies. Additionally, the proposed set of monomers optimized by virtual ADMET screening and molecular simulation methods. Hence, the overall present study paves the way for designing new drugs for anticancer and antimycobacterial activities with elevated inhibitory potency. | |
| 650 | 1 | 4 | _aPHOTOPHYSICAL PROPERTIES |
| 650 | 1 | 4 | _aANTICANCER ACTIVITY |
| 650 | 1 | 4 | _aADMET |
| 650 | 1 | 4 | _aAUTO DOCKING |
| 650 | 1 | 4 | _aDENSITY FUNCTIONAL THEORY |
| 700 | 1 | 2 | _aSubramani, A. |
| 700 | 1 | 2 | _aAli, L. B. |
| 700 | 1 | 2 | _aRosi, V. |
| 700 | 1 | 2 | _aShabeer, T. K. |
| 856 | 4 | 0 |
_uhttps://drive.google.com/file/d/1hqRE0sP6gdq67y-GUS8ja-_IN9rD6FHN/view?usp=drivesdk _zPara ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx |
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