Novel lead generation through hypothetical pharmacophore three-dimensional database searching: Discovery of isoflavonoids as nonsteroidal inhibitors of rat 5α-reductase

G. S. Chen; C. S. Chang; W. M. Kan; C. L. Chang; K. C. Wang; J. W. Chern

doi:10.1021/jm010433s

Novel lead generation through hypothetical pharmacophore three-dimensional database searching: Discovery of isoflavonoids as nonsteroidal inhibitors of rat 5α-reductase

G. S. Chen, C. S. Chang, W. M. Kan, C. L. Chang, K. C. Wang, J. W. Chern

Department of Pharmacology

Research output: Contribution to journal › Article › peer-review

41 Citations (Scopus)

Abstract

A hypothetical pharmacophore of 5α-reductase inhibitors was generated and served as a template in virtual screening. When the pharmacophore was used, eight isoflavone derivatives were characterized as novel potential nonsteroidal inhibitors of rat 5α-reductase. This investigation has demonstrated a practical approach toward the development of lead compounds through a hypothetic pharmacophore via threedimensional database searching.

Original language	English
Pages (from-to)	3759-3763
Number of pages	5
Journal	Journal of Medicinal Chemistry
Volume	44
Issue number	23
DOIs	https://doi.org/10.1021/jm010433s
Publication status	Published - 2001 Nov 8

All Science Journal Classification (ASJC) codes

Molecular Medicine
Drug Discovery

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10.1021/jm010433s

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AU - Kan, W. M.

AU - Chang, C. L.

AU - Wang, K. C.

AU - Chern, J. W.

PY - 2001/11/8

Y1 - 2001/11/8

N2 - A hypothetical pharmacophore of 5α-reductase inhibitors was generated and served as a template in virtual screening. When the pharmacophore was used, eight isoflavone derivatives were characterized as novel potential nonsteroidal inhibitors of rat 5α-reductase. This investigation has demonstrated a practical approach toward the development of lead compounds through a hypothetic pharmacophore via threedimensional database searching.

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Novel lead generation through hypothetical pharmacophore three-dimensional database searching: Discovery of isoflavonoids as nonsteroidal inhibitors of rat 5α-reductase

Abstract

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