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. 2024 Oct 24;9(44):44624–44638. doi: 10.1021/acsomega.4c07148

Figure 7.

Figure 7

2D and 3D interactions occurred between compounds 2e–2j, (Ebselen), and (lig PDB) with Mpro (PDB: 5RG1). Alkyl, π-alkyl, π–π stacked (pink dashed line), π–σ (lilac dashed line), hydrogen bonding (green dashed line), π-sulfur (orange dashed line), halogen (blue dashed line), and unfavorable interactions (red dashed line). Residues: Met (Methionine), Cys (Cysteine), Phe (Phenylalanine), Asn (Asparagine), Leu (Leucine), Met (Methionine), His (Histidine), Ser (Serine), Pro (Proline), Glu (Acid glutamic acid), Asp (Aspartic acid) and Arg (Arginine).