Design, Synthesis, Bioactive Evaluation, and Molecular Dynamics Simulation of Novel 4 H -Pyrano[3,2- c ]pyridine Analogues as Potential Sterol 14α-Demethylase (CYP51) Inhibitors

To discover potential sterol 14α-demethylase (CYP51) inhibitors, thirty-four unreported 4 -pyrano[3,2- ]pyridine derivatives were designed and synthesized. The assay results indicated that most compounds displayed significant fungicidal activity against , , , , and at 16 μg/mL. The half maximal effe...

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Veröffentlicht in:	Journal of medicinal chemistry 2024-05, Vol.67 (10), p.7954-7972
Hauptverfasser:	Bao, Ailing, Jiang, Wenjing, Xie, Xiansong, Wang, Deyuan, Deng, Ziquan, Wang, Jingwen, Li, Weiyi, Tang, Xiaorong, Yan, Yingkun
Format:	Artikel
Sprache:	eng
Schlagworte:	14-alpha Demethylase Inhibitors - chemical synthesis 14-alpha Demethylase Inhibitors - chemistry 14-alpha Demethylase Inhibitors - pharmacology Antifungal Agents - chemical synthesis Antifungal Agents - chemistry Antifungal Agents - pharmacology Ascomycota - drug effects Botrytis - drug effects Colletotrichum - drug effects Drug Design Fusarium - drug effects Microbial Sensitivity Tests Molecular Docking Simulation Molecular Dynamics Simulation Molecular Structure Penicillium Pyridines - chemical synthesis Pyridines - chemistry Pyridines - pharmacology Sterol 14-Demethylase - chemistry Sterol 14-Demethylase - metabolism Structure-Activity Relationship
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