Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study

Table 3 Wild type CSA HIV-1 protease inhibition activities of PCU-lactam-NH- and lactone-CO-peptides

	Peptide	IC ₅₀ with lactam-NH- (μM)*	IC ₅₀ with lactone-CO- (μM)*
Mixture of both diastereomers	Glu-Ala-Ile-Ser	0.078 ± 0.0035	0.85 ± 0.18

*IC₅₀ = 50% inhibition constant reported as the average of three experiments. Standard deviations (SD) for all compounds were ≤ 2% of the reported IC₅₀ values. Peptides were isolated as a mixture of diastereomers. Atazanavir (IC₅₀ = 0.004 ± 0.00071 μM) and Lopinavir (IC₅₀ = 0.025 ± 0.0014 μM) were used as standards for the testing.

ISSN: 1423-0127