Table 3 Predicted pIC₅₀ (M) values for the proposed molecules (7a–w) based on the Py-CoMFA model (Csp³, + 1). In bold, the compounds with pIC₅₀ ≥ 5.000 M.

From: Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors