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Generally, the development of novel TCIs entails the introduction of a warhead onto a potent noncovalent scaffold [1,21,32,33,34], or high-throughput screening (HTS) of small molecule covalent ligands [35,36,37] or covalent fragment libraries [31,36,38,39,40,41,42,43], with structure-based lead optimization supported by in silico approaches (e.g., covalent docking, virtual screening [32,44,45,46])