In this work, some 2-phenyl quinoline-4-carboxamide derivatives (5a-j) were synthesized via base
catalyzed Pfitzinger reaction of isatin and acetophenone followed by C-N coupling reaction using
POCl3 and assessed them for their in vitro antimicrobial and anticancer activity. The structure of newly
synthesized compound were established by FT-IR, 1H & 13C NMR and Mass spectrometric analysis.
The synthesized carboxamides were subjected to preliminary in vitro antibacterial activity as well as
for antifungal activity. Results of antibacterial activity were compared with standard antibacterial
(ciprofloxocin) and antifungal (fluconozole). Among the tested compounds, 5d, 5f and 5h exhibited
promising activity with zone of inhibition ranging from 10 to 25 mm. Further, the anticancer activity
determined using MTT assay against two cancer cell lines. Compounds 5b, 5d, 5f and 5h showed
good anticancer activity among all the other derivatives. In order to correlate the in vitro results, in
silico ADME and Molecular docking studies were carried out for (5a-j). ADME properties results
showed that all the compounds obey rule of Five rule except 5a, 5e and 5g compound. Molecular
docking studies of the synthesized compounds showed good binding affinity through hydrogen bond
interactions with key residues on active sites as well as neighboring residues within the active site of
chosen target proteins viz. antibacterial, antifungal and anticancer. Comparison of both results of in
silico as well as in vitro investigation suggests that the synthesized compounds may act as potential
antimicrobial as well as anticancer agents.
3D-Molecular Modeling, Antibacterial Activity and Molecular Docking Studies of Some Imidazole Derivatives