3D-QSAR Study of Melanin Inhibiting (S)-(+)-Decursin and its Analogues by Pharmacophore Mapping

E-mail: artcho@korea.ac.krReceived September 30, 2011, Accepted November 15, 2011The (S)-(+)-decursin and its analogues are reported as potent inhibitors of melanin production in B16 murinemelanoma cells. In order to understand the factors responsible for potency as well as inhibition of potency of(S)-(+)-decursin and its analogues, three-dimensional quantitative structure-activity relationship (3D-QSAR)studies were performed. Since receptor structures are not available, a pharmacophore model was constructed.Using PHASE, we generated 3 different models and selected the seven-site model, which returned excellentstatistical values (r