Analyse conformationnelle theorique et activite anti-depressive de nouveaux derives cyclopropaniques bifonctionnels: Midalcipran et isomeres
作者： R Lahana , F Crasnier , J.-F Labarre , H Cousse , B Bonnaud
DOI: 10.1016/0166-1280(86)80087-2
关键词:
摘要: Abstract (Theoretical conformational analysis and anti-depressive effectiveness of new bifunctional cyclopropanic derivatives: Midalcipran relatives) The Midalcipran, a novel anti-depressor agent, was achieved through concerted use the CNDO/2 quantum technique some specific software for micro-computers, such as APPLE ///, which are able to design sort preferred conformations. activity is then attributed existence in molecule “double-locked” rigid lactamic pattern highly suitable receptor recognition.
elsevier.com
sci-hub.se 参考文章(15)
Jean-François Labarre, Conformational analysis in inorganic chemistry: Semi-empirical quantum calculation vs. experiment Springer, Berlin, Heidelberg. pp. 1- 35 ,(1978) , 10.1007/3-540-08887-3_1
Marie-Chantal Bach-Chevaldonnet, François Crasnier, Jean-François Labarre, Claude Leibovici, Analyse conformationnelle théorique des complexes acide-base de lewis Journal of Molecular Structure. ,vol. 20, pp. 141- 146 ,(1974) , 10.1016/0022-2860(74)85077-5
M. Pelissier, C. Leibovici, J-F. Labarre, Analyse conformationnelle theorique du fluorure de l'acide cyclopropanecarboxylique. Tetrahedron Letters. ,vol. 12, pp. 3759- 3762 ,(1971) , 10.1016/0040-4039(71)80021-7
Corwin Hansch, Eugene Coats, α-Chymotrypsin: A Case Study of Substituent Constants and Regression Analysis in Enzymic Structure—Activity Relationships Journal of Pharmaceutical Sciences. ,vol. 59, pp. 731- 743 ,(1970) , 10.1002/JPS.2600590602
J. A. Pople, M. Gordon, Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments. Journal of the American Chemical Society. ,vol. 89, pp. 4253- 4261 ,(1967) , 10.1021/JA00993A001
M. Pelissier, C. Leibovici, J.-F. Labarre, Analyse conformationnelle theorique en serie cyclopropanique le methylcyclopropane, la cyclopropylamine et la cyclopropylphosphine Tetrahedron. ,vol. 28, pp. 4825- 4833 ,(1972) , 10.1016/0040-4020(72)88090-6
G. L. Gartland, G. R. Freeman, C. E. Bugg, Crystal structures of tryptamine picrate and d,l‐tryptophan picrate–methanol, two indole donor–acceptor complexes Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. ,vol. 30, pp. 1841- 1849 ,(1974) , 10.1107/S0567740874005905
Corwin Hansch, Friederike Helmer, Extrathermodynamic approach to the study of the adsorption of organic compounds by macromolecules Journal of Polymer Science Part A-1: Polymer Chemistry. ,vol. 6, pp. 3295- 3302 ,(1968) , 10.1002/POL.1968.150061208
Roger Lahana, Jean-Francois Labarre, How to use a very simple microcomputing system for a dynamical conformational analysis of versatile molecules. The case of some anticancer inorganic ring systems Journal of Molecular Structure: THEOCHEM. ,vol. 87, pp. 283- 300 ,(1982) , 10.1016/0166-1280(82)80008-0
R. Roques, F. Crasnier, J. P. Declercq, G. Germain, H. Cousse, G. Mouzin, Trans-2-pivaloylcyclopropanecarboxylic Acid Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. ,vol. 38, pp. 1375- 1377 ,(1982) , 10.1107/S0567740882005871