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Publication of a Paper on Compound Design for RNA-Targeted Drug Discovery

Our research findings have been published in the international scientific journal Bioorganic & Medicinal Chemistry.

In this study, we comprehensively analyzed 295 million interactions between approximately 80,000 drug-like compounds and 4,000 RNA structural motifs to elucidate the physicochemical characteristics of "selective RNA binders" that bind exclusively to specific RNAs. We discovered that compounds with higher molecular weight, increased lipophilicity, and fewer hydrogen bond donors are more suited for selective binding. Furthermore, we identified multiloop structures as the preferred target RNA motifs.

These findings establish strong guidelines for the rational molecular design required to develop next-generation RNA therapeutics from unexplored chemical space.

Title: Physicochemical and RNA structural features of selective RNA binding by drug-like small molecules

Authors: Hiroki Yoshida, Ryosuke Nagasawa, Kaoru R. Komatsu

Click here for more information (Bioorganic & Medicinal Chemistry)