QSAR studies on piperazinylalkylisoxazole analogues selectively acting on dopamine D3 receptor by HQSAR and CoMFA |
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Authors: | Cha Mi Young Lee In Young Cha Joo Hwan Choi Kyung Il Cho Yong Seo Koh Hun Yeong Pae Ae Nim |
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Affiliation: | Biochemicals Research Center, Korea Institute of Science and Technology, PO Box 131, Cheongryang, 130-650, Seoul, South Korea. |
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Abstract: | QSAR studies for piperazinylalkylisoxazole analogues were conducted by hologram QSAR (HQSAR) and comparative molecular field analysis (CoMFA) to explain the binding affinities of 264 ligands acting on dopamine D(3) receptor. The HQSAR was assessed by r(2) value of 0.917 and cross validated q(2) value of 0.841. In the CoMFA, r(2) is 0.919 and cross validated q(2) is 0.727. The results provide the tools for predicting the affinity of related compounds and guiding the design of new ligands. |
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