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Design, synthesis and evaluation of benzofuran-3(2H)-ones as novel Pks13 inhibitors
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Xiu-li XU1, Xiao WANG2, Tian-jun LIU2, Hong-yi ZHAO1, Yi-shuang LIU2, *, Dong-feng ZHANG1, 3, *
Acta Pharmaceutica Sinica | 2026, 61(6) : 2204 - 2211
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Acta Pharmaceutica Sinica | 2026, 61(6): 2204-2211
• Original Articles •
Design, synthesis and evaluation of benzofuran-3(2H)-ones as novel Pks13 inhibitors
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Xiu-li XU1, Xiao WANG2, Tian-jun LIU2, Hong-yi ZHAO1, Yi-shuang LIU2, *, Dong-feng ZHANG1, 3, *
Affiliations
  • 1Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China
  • 2Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China
  • 3State Key Laboratory of Respiratory Health and Multimorbidity, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China
Published: 2026-06-12 doi: 10.16438/j.0513-4870.2026-0217
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Mycobacterial polyketide synthase 13 (Pks13) is responsible for catalyzing the synthesis of the precursor of mycolic acids and represents a promising target for the development of novel antituberculosis drugs. Based on the hit compound 6 previously identified through virtual screening, a series of benzofuran-3(2H)-one derivatives were designed and synthesized using a structure-based drug design strategy. Among them, compounds 7k and 7o exhibited potent inhibitory activities against Pks13, with IC50 values of 1.01 and 0.64 μmol·L-1, respectively. This study lays a foundation for the investigation of novel Pks13 inhibitors.

Mycobacterium tuberculosis  /  polyketide synthase 13  /  mycolic acid  /  benzofuran-3(2H)-one
徐秀丽, 王潇, 刘天俊, 赵红义, 刘忆霜, 张东峰. 苯并呋喃酮类化合物的设计、合成及抗结核分枝杆菌聚酮合成酶13活性研究. 药学学报, 2026 , 61 (6) : 2204 -2211 . DOI: 10.16438/j.0513-4870.2026-0217
Xiu-li XU, Xiao WANG, Tian-jun LIU, Hong-yi ZHAO, Yi-shuang LIU, Dong-feng ZHANG. Design, synthesis and evaluation of benzofuran-3(2H)-ones as novel Pks13 inhibitors[J]. Acta Pharmaceutica Sinica, 2026 , 61 (6) : 2204 -2211 . DOI: 10.16438/j.0513-4870.2026-0217
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Year 2026 volume 61 Issue 6
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Article Info
doi: 10.16438/j.0513-4870.2026-0217
  • Receive Date：2026-03-02
  • Online Date：2026-09-21
  • Published：2026-06-12
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History
  • Received：2026-03-02
  • Revised：2026-03-23
Affiliations
    1Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China
    2Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China
    3State Key Laboratory of Respiratory Health and Multimorbidity, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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