Table 2. Binding Affinity and Crucial Amino Acid Residues of CD81 Interacting with Compounds 6, 7, and 8.

S. no.	complex	binding affinity (kcal mol–1)	residual interactions
1	CD81-compound-6	– 6.9	Glu152, Asp155, Ser179, and Lys187
2	CD81-compound-7	–6.3	Glu152, Asp155, Pro176, and Ser177
3	CD81-compound-8	–6.5	His151, Glu152, Asp155, Cys156, Cys175, and Ser179