Molecular modelling of GABA uptake inhibitors
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Molecular modelling of GABA uptake inhibitors. / Jørgensen, Flemming Steen; Thøgersen, Henning.
In: Nordic Journal of Psychiatry, Vol. 41, No. 6, 01.01.1987, p. 483-486.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Molecular modelling of GABA uptake inhibitors
AU - Jørgensen, Flemming Steen
AU - Thøgersen, Henning
PY - 1987/1/1
Y1 - 1987/1/1
N2 - A joint molecular modelling and computer graphics study of the potent and conformatio-nally flexible GABA uptake inhibitor SKF 89.976-A is presented. Two principally different approaches for determining the biologically active conformation(s) are described. In the first approach, three flexible compounds are compared in order to find differences between the potent SKF compound, an inactive and a less active compound. In the second approach, SKF 89.976-A is compared with a conformationally constrained GABA uptake inhibitor. The results are compared and a tentative model for the recognition site deduced.
AB - A joint molecular modelling and computer graphics study of the potent and conformatio-nally flexible GABA uptake inhibitor SKF 89.976-A is presented. Two principally different approaches for determining the biologically active conformation(s) are described. In the first approach, three flexible compounds are compared in order to find differences between the potent SKF compound, an inactive and a less active compound. In the second approach, SKF 89.976-A is compared with a conformationally constrained GABA uptake inhibitor. The results are compared and a tentative model for the recognition site deduced.
KW - GABA uptake inhibitors
KW - Molecular modelling
KW - Omputer graphics
UR - http://www.scopus.com/inward/record.url?scp=0023576848&partnerID=8YFLogxK
U2 - 10.3109/08039488709097043
DO - 10.3109/08039488709097043
M3 - Journal article
AN - SCOPUS:0023576848
VL - 41
SP - 483
EP - 486
JO - Nordisk Psykiatrisk Tidsskrift
JF - Nordisk Psykiatrisk Tidsskrift
SN - 0803-9496
IS - 6
ER -
ID: 218715793