Novel pyrimido[1,2- a ]imidazole derivatives as potent Pks13-TE inhibitors: structure-based virtual screening and rational design

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Abstract
Integrated virtual and biological screening guided the design and synthesis of 50 novel pyrimido[1,2- a ]imidazole derivatives, leading to the discovery of potent Pks13-TE inhibitor 34 (IC 50 = 0.23 μM).
Funding Information
  • National Natural Science Foundation of China (22307024)
  • National Natural Science Foundation of China (32394010)
  • Basic and Applied Basic Research Foundation of Guangdong Province (2023A1515011885)

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