Structure-based design of ligands of the m6A-RNA reader YTHDC1

• Main Authors: Yaozong Li (Author), Rajiv Kumar Bedi (Author), Francesco Nai (Author), Valentin von Roten (Author), Aymeric Dolbois (Author), František Zálešák (Author), Raed Nachawati (Author), Danzhi Huang (Author), Amedeo Caflisch (Author)
• Format: Book
• Published: Elsevier, 2022-08-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

We report new chemical entities for disrupting the interactions between N6-methyladenosine (m6A) mRNA and its reader YT521-B homology-domain-containing protein 1 (YTHDC1). High-throughput docking was used to screen commercially available databases of small molecules, and molecular dynamics simulatio...