Synthesis, molecular docking, and in vitro cytotoxicity of novel N-(α-cyanocinnamoyl)hydralazine derivatives
Rajitha Galla, Vidya Rani Murthi, Vanitha Madhuri Tadepalli, Gnaneswari KongaraBackground and purpose:
Treatment resistance in many cancers is a major concern, requiring the development of new anticancer agents to overcome it. Hence, in the present study, a novel series of (2
Experimental approach:
The structures of the synthesised derivatives were confirmed by FTIR,
1
H NMR,
13
C NMR, and mass spectrometry. Compounds were assessed for
Findings/Results:
Molecular docking studies revealed that compound
4f
exhibited favorable binding affinity towards EGFR (-7.79025 Kcal/mol) and hERα (-8.64251 Kcal/mol), while compound
4b
showed good docking interactions with the Bcl-2 protein (-5.08782 Kcal/mol), comparable to the respective standards.
Conclusion and implications:
The present study identified compound 4f as a lead scaffold for further research to validate and advance its therapeutic applicability.