Fig. 4 | Scientific Reports

Fig. 4

From: Identification of novel small molecule inhibitors targeting multiple methyltransferase like proteins against hepatocellular carcinoma

Fig. 4

Two compounds are predicted with SAM-competitive binding patterns. Structural representations of the binding sites and interactions of METTL proteins with (A) ZINC70666503 and (B) ZINC13000658. The ribbon diagrams highlight secondary structural elements, with helices in pink, beta-sheets in yellow, and loops in white. Key amino acid residues involved in binding are labeled and shown in stick representation, with hydrogen bonds and other interactions indicated by dashed lines. The ligands are represented in ball-and-stick models, and the specific residue-ligand interactions are annotated. Both compounds are predicted to bind within the SAM catalytic pocket, forming critical interactions that could competitively block SAM and inhibit METTL methyltransferase activity.

Back to article page