Synthesis, In Vitro Cytotoxicity, and DFT Studies of Novel 2‐Amino Substituted Benzonaphthyridines as PDK1 Inhibitors

Abstract

The present work emphasizes the utility of 2,4‐dichloro‐5‐methylbenzo[h][1,6]naphthyridine as starting precursors. The reaction of 2,4‐dichloro‐5‐methylbenzo[h][1,6]naphthyridine with a variety of aliphatic and aromatic amines yielded 2‐amino substituted 2,4‐dichlorobenzo[h]naphthyridines. All the compounds were examined for their in vitro anticancer activity against six human cancer lines and docked with PDK1 inhibitors. The structure‐activity relationship studies are revealed that the compounds holding aminocarbazole moiety and triazole amine moiety improve the activity profile. All the structures of synthesized compounds were optimized at B3LYP‐D3/6‐31G(d) level in the water. Furthermore, the electronic properties and biological reactivity of the synthesized compounds are explored using computational techniques.

Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives

“…For our studied compounds, stretching frequency of C=N bond is calculated in the range of 1461 -1531 cm -1 [23] As for the other peaks, the stretching frequencies of CO and CN are calculated nearly 1310 and 960 cm -1 , respectively. These frequencies, CO and CN, have been reported in the range of 1334 -1417 and 925 -970, respectively [23,24].…”

Unmasking the Warburg Effect: Unleashing the Power of Enzyme Inhibitors for Cancer Therapy

“…The structureactivity relationship revealed that the compounds holding aminocarbazole moiety and triazole amine moiety increased the activity profile. Afterwards, all of them were also evaluated in vitro against six human cancer cell lines (A549, HCT-15, T47D, C6, HepG2, and Hep-2), showing a potent activity [108].…”