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. Author manuscript; available in PMC: 2020 Feb 15.
Published in final edited form as: Eur J Med Chem. 2018 Dec 21;164:179–192. doi: 10.1016/j.ejmech.2018.12.047

Figure 7.

Figure 7.

Molecular modeling of 19o. (A) Predicted binding mode of 19o within the crystal structure of HBV Cp (PDB code: 5T2P). (B) Structures of SBA analogue (29) and HAP analogue (30) in reported co-crystal structures. (C) Structural overlay of predicted binding mode of 19o and 29 within the HBV capsid. (D) Structural overlay of predicted binding mode of 19o and 30 within the HBV capsid. Key residues are highlighted in yellow sticks. H-bond interactions are depicted as black dotted lines. Alkyl-π interactions is represented as double headed arrow in black.