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- W4387400369 abstract "Bio-degradable pharmaceutical ingredients like metformin inbounded innumerable 5,6-dihydrobenzo[h]quinazolines were synthesized and characterized with the help of spectral-analytical techniques like FT-IR, 1H NMR,13C NMR, and LC-MS investigations. The computed ADMET properties and molecular docking studies of the synthesized compounds 3(a-g) against six different proteins (3ert, 1qsg, 3ewd, 7e9b, 4nxi, and 5f90) were carried out. The resultant ADMET properties and binding energy of the synthesized ligands were compared with respective standard drugs like metformin, regorafenib, chloramphenicol and 5-Fluorouracil. Anti-bacterial activities of the synthesized compounds 3(a-g) were studied using 3 gram-positive (S. aureus, S. pneumonia, and enterococcus) and 3 gram-negative (E. coli, K. pneumonia, and Citrobacter) organisms and the resultant data were compared against chloramphenicol. In this, the compound 3f with methyl substitution was found to show an innumerable antibacterial activity against S. pneumonia, enterococcus and K. pneumoniae species with inhibitory zone diameters (mm) of 24/32, 24/34 and 25/33 respectively. The anti-cancer activity indicates that the drug candidate needed to inhibit this biological process by half (IC50) was found to be 39.77 µg for compound 3b, which is a methoxy-substituted compound, and may act as a good drug candidate." @default.
- W4387400369 created "2023-10-07" @default.
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- W4387400369 date "2023-10-01" @default.
- W4387400369 modified "2023-10-07" @default.
- W4387400369 title "Design, Synthesis, Spectral Characterization, in silico ADMET Studies, Molecular Docking, Antimicrobial Activity, and Anti Breast Cancer Activity of 5,6-dihydrobenzo[H]quinazolines" @default.
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- W4387400369 doi "https://doi.org/10.1016/j.molstruc.2023.136771" @default.
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