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. 2022 Aug 8;21(10):736–762. doi: 10.1038/s41573-022-00521-4

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Fig. 4 — a | Traditional medicinal chemistry optimization begins with hit expansion and analogue synthesis to generate structure–activity relationships (SARs), which can be used to optimize lead compounds as well as to discover new scaffolds by pharmacophore modelling. b | Structure-guided lead optimization relies on structure modelling of the RNA target to perform virtual screening and to inform compound design based on ligand–RNA interactions. c | Sequence-based lead optimization explores the differences between structures of on-target and off-targets and modifies the lead compound based on structural features unique to the on-target, that is, modular assembly or dimerization. PK, pharmacokinetic; pri, primary.