Algul, OztekinErsan, Ronak HajAlagoz, Mehmet AbdullahDuran, NizamiBurmaoglu, Serdar2024-08-042024-08-0420210739-11021538-0254https://doi.org/10.1080/07391102.2020.1803966https://hdl.handle.net/11616/99451A series of unsymmetrical nine di-heterocyclic compounds of benzazole derivatives were synthesized at one step via cyclization reaction. The compounds evaluated forin vitrocytotoxic activity against A549, A498, HeLa, and HepG2 cancer cell lines. The biological evaluation results show that23, 26and29exhibit better activity against HepG2 and HeLa cancer cell lines. Compound23also showed good activity against A549, and A498 cancer cell lines. The analogs were further performed molecular docking studies against human cytochrome P450 2C8 monooxygenase enzyme, calculated some theoretical quantum parameters, ADMET descriptor and molecular electrostatic potential analysis. The strategy applied in this research work may act as a perspective for the rational design of potential anticancer drugs. Communicated by Ramaswamy H. Sarmaeninfo:eu-repo/semantics/closedAccessDi-heterocyclic structurebenzimidazolebenzothiazolebenzoxazolebenzazolepolyphosphoric acidantiproliferative activitymolecular dockingADMETArticle3918692669383277284510.1080/07391102.2020.18039662-s2.0-85089254969Q2WOS:000557611000001N/A