Three-Dimensional Pharmacophore Mapping of a Series of Isoxazolylpiperazine Inhibitors Selectively Acting on the Dopamine D4 Receptor

Title: Three-Dimensional Pharmacophore Mapping of a Series of Isoxazolylpiperazine Inhibitors Selectively Acting on the Dopamine D4 Receptor

Volume: 1 Issue: 4

Author(s): In Young Lee, Yeon Joo Lee, Yong Seo Cho, Ae Nim Pae and Hun Yeong Koh

Affiliation:

Keywords: pharmacophore, hypogen, hiphop, dopamine d4

Abstract: Pharmacophore hypotheses were generated for a series of isoxazolylpiperazine inhibitors selectively acting on the dopamine D4 receptor. HypoGen and HipHop programs in the CATALYST software were used to get insight into the structural features required for the inhibition activity. The HypoGen-generated pharmacophore model, with four features, which include HBAl, HBAl, HpAr, RA, showed high correlation (r = 0.950) and predictive power. It also rationalized the relationships between structure and biological activity of these inhibitors of dopamine D4 receptor. This successful prediction was further validated on several structurally diverse compounds active against dopamine D4 receptor using HipHop method.

Cite this article as:

Lee Young In, Lee Joo Yeon, Cho Seo Yong, Pae Nim Ae and Koh Yeong Hun, Three-Dimensional Pharmacophore Mapping of a Series of Isoxazolylpiperazine Inhibitors Selectively Acting on the Dopamine D4 Receptor, Letters in Drug Design & Discovery 2004; 1 (4) . https://dx.doi.org/10.2174/1570180043398722

DOI https://dx.doi.org/10.2174/1570180043398722	Print ISSN 1570-1808
Publisher Name Bentham Science Publisher	Online ISSN 1875-628X