caa a22 4500 469053399 CHVBK 20180323132836.0 cr unu---uuuuu 170328e19921201xx s 000 0 eng 10.1007/BF00126215 doi (NATIONALLICENCE)springer-10.1007/BF00126215 A comparison of progestin and androgen receptor binding using the CoMFA technique [Elektronische Daten] [Deborah Loughney, Charles Schwender] Summary: A series of 48 steroids has been studied with the SYBYL QSAR module using Relative Binding Affinities (RBAs) to progesterone and androgen receptors obtained from the literature. Models for the progesterone and androgen data were developed. Both models show regions where sterics and electrostatics correlate to binding affinity but are different for androgen and progesterone which suggests differences possibly important for receptor selectivity. The progesterone model is more predictive than the androgen (predictive r2 of 0.725 vs. 0.545 for progesterone and androgen, respectively). ESCOM Science Publishers B.V, 1992 QSAR nationallicence CoMFA nationallicence Androgen nationallicence Progestin nationallicence Loughney Deborah Department of Medicinal Chemistry, R.W. Johnson Pharmaceutical Research Institute, Route 202, P.O. Box 300, 08869, Raritan, NJ, U.S.A. aut Schwender Charles Department of Medicinal Chemistry, R.W. Johnson Pharmaceutical Research Institute, Route 202, P.O. Box 300, 08869, Raritan, NJ, U.S.A. aut Journal of Computer-Aided Molecular Design Kluwer Academic Publishers 6/6(1992-12-01), 569-581 0920-654X 6:6<569 1992 6 10822 https://doi.org/10.1007/BF00126215 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00126215 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Loughney Deborah Department of Medicinal Chemistry, R.W. Johnson Pharmaceutical Research Institute, Route 202, P.O. Box 300, 08869, Raritan, NJ, U.S.A aut NATIONALLICENCE 700 1- Schwender Charles Department of Medicinal Chemistry, R.W. Johnson Pharmaceutical Research Institute, Route 202, P.O. Box 300, 08869, Raritan, NJ, U.S.A aut NATIONALLICENCE 773 0- Journal of Computer-Aided Molecular Design Kluwer Academic Publishers 6/6(1992-12-01), 569-581 0920-654X 6:6<569 1992 6 10822 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer