Attaching azoles to Hantzsch 1,4-dihydropyridines: Synthesis, theoretical investigation of nonlinear optical properties, antimicrobial evaluation and molecular docking studies

MG Gündüz,C Dengiz,EK Aslan,SS Bogojevic, J Nikodinovic-Runic

Journal of Molecular Structure（2022）

引用 6|浏览5

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摘要

•Novel 1,4-dihydropyridine (DHP)/azole hybrids were designed and synthesized.•Optical and non-linear optical (NLO) properties were investigated by computational methods.•DHP-azole hybrids were tested for antibacterial and antifungal activities.•Molecular docking was performed in the catalytic site of Candida albicans CYP51.

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关键词

Hantzsch reaction,Antifungal,Molecular hybridization,Charge-transfer,Nonlinear optics,Donor-acceptor

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