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- W2022147624 abstract "Azasteroids have been reported as inhibitors of human 5α-reductase enzyme. These were designed by substitution of one carbon atom of steroidal A ring by heteroatom nitrogen. Due to lack of information on the crystal structure of human 5α-reductase, 3D-QSAR study has been performed on a series of unsaturated 4-azasteroids using Self Organizing Molecular Field Analysis (SOMFA) for rationalizing the molecular properties and human 5α-reductase inhibitory activities. The statistical results having good cross-validated r2cv (0.783), non cross-validated r2 (0.806) and F-test value (87.282), showed satisfied predictive ability. Analysis of SOMFA models through electrostatic and shape grids provide useful information for the design and optimization of new steroidal human 5α-reductase inhibitors." @default.
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- W2022147624 date "2010-02-01" @default.
- W2022147624 modified "2023-09-25" @default.
- W2022147624 title "3D-QSAR studies on unsaturated 4-azasteroids as human 5α-reductase inhibitors: A self organizing molecular field analysis approach" @default.
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- W2022147624 doi "https://doi.org/10.1016/j.ejmech.2009.10.030" @default.
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