Contributions of crystal structures, molecular electrostatic potential maps, and lipophilicity data to structure-activity relationships of some conformationally restricted nortropane benzamide neuroleptics

Sonia Collin; Alain Patiny; Daniel P. Vercauteren; Bernadette Norberg; Guy Evrard; Francois Durant

doi:10.1007/bf01160656

Contributions of crystal structures, molecular electrostatic potential maps, and lipophilicity data to structure-activity relationships of some conformationally restricted nortropane benzamide neuroleptics

Journal of Crystallographic and Spectroscopic Research ◽

10.1007/bf01160656 ◽

1991 ◽

Vol 21 (4) ◽

pp. 431-443 ◽

Cited By ~ 4

Author(s):

Sonia Collin ◽

Alain Patiny ◽

Daniel P. Vercauteren ◽

Bernadette Norberg ◽

Guy Evrard ◽

...

Keyword(s):

Crystal Structures ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Structure Activity Relationships ◽

Conformationally Restricted ◽

Structure Activity ◽

Molecular Electrostatic Potential Maps

Download Full-text

Approximate molecular electrostatic potential computations: applications to quantitative structure-activity relationships

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)80006-6 ◽

1994 ◽

Vol 304 (2) ◽

pp. 143-150 ◽

Cited By ~ 8

Author(s):

Dmitry B. Kireev ◽

Valery I. Fetisov ◽

Nikolai S. Zefirov

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Rapid evaluation of molecular electrostatic potential maps for amino acids, peptides, and proteins by empirical functions

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199605)17:7<790::aid-jcc4>3.0.co;2-n ◽

1996 ◽

Vol 17 (7) ◽

pp. 790-805 ◽

Cited By ~ 2

Author(s):

Hideo Nakajima ◽

Ohgi Takahashi ◽

Osamu Kikuchi

Keyword(s):

Amino Acids ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Rapid Evaluation ◽

Molecular Electrostatic Potential Maps

Download Full-text

Molecular electrostatic potential energies and methylation of DNA bases: a molecular orbital-generated quantitative structure-activity relationship

Xenobiotica ◽

10.3109/00498258709043984 ◽

1987 ◽

Vol 17 (6) ◽

pp. 769-776 ◽

Cited By ~ 6

Author(s):

David F. V. Lewis ◽

Victor S. Griffiths

Keyword(s):

Molecular Orbital ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Dna Bases ◽

Activity Relationship ◽

Quantitative Structure ◽

Methylation Of Dna ◽

Structure Activity

Download Full-text

Synthesis and biological characterization of pyridohomotropanes. Structure-activity relationships of conformationally restricted nicotinoids [Erratum to document cited in CA108(11):94432r]

Journal of Medicinal Chemistry ◽

10.1021/jm00119a028 ◽

1988 ◽

Vol 31 (11) ◽

pp. 2227-2227 ◽

Cited By ~ 1

Author(s):

David B. Kanne ◽

Leo G. Abood

Keyword(s):

Biological Characterization ◽

Structure Activity Relationships ◽

Conformationally Restricted ◽

Structure Activity

Download Full-text

Structure−Activity Relationships of Lysophosphatidic Acid: Conformationally Restricted Backbone Mimetics

Journal of Medicinal Chemistry ◽

10.1021/jm970809v ◽

1999 ◽

Vol 42 (6) ◽

pp. 963-970 ◽

Cited By ~ 12

Author(s):

Darrin W. Hopper ◽

Seamus P. Ragan ◽

Shelley B. Hooks ◽

Kevin R. Lynch ◽

Timothy L. Macdonald

Keyword(s):

Lysophosphatidic Acid ◽

Structure Activity Relationships ◽

Conformationally Restricted ◽

Structure Activity

Download Full-text

Peptide and Peptide Mimetic Inhibitors of Antigen Presentation by HLA-DR Class II MHC Molecules. Design, Structure−Activity Relationships, and X-ray Crystal Structures

Journal of Medicinal Chemistry ◽

10.1021/jm000034h ◽

2000 ◽

Vol 43 (11) ◽

pp. 2135-2148 ◽

Cited By ~ 68

Author(s):

David R. Bolin ◽

Amy L. Swain ◽

Ramakanth Sarabu ◽

Steven J. Berthel ◽

Paul Gillespie ◽

...

Keyword(s):

Antigen Presentation ◽

Crystal Structures ◽

Class Ii ◽

X Ray ◽

Structure Activity Relationships ◽

Mhc Molecules ◽

Structure Activity ◽

Design Structure ◽

Hla Dr ◽

Class Ii Mhc

Download Full-text

Modified hybridization displacement charge scheme for ?-electron systems: Study of molecular electrostatic potential maps

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1999)71:2<191::aid-qua8>3.0.co;2-7 ◽

1999 ◽

Vol 71 (2) ◽

pp. 191-200 ◽

Cited By ~ 10

Author(s):

P. C. Mishra ◽

Anil Kumar

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Electron Systems ◽

Molecular Electrostatic Potential Maps ◽

Hybridization Displacement Charge

Download Full-text

Near ab initio quality molecular electrostatic potential maps using hybridization displacement charges at PM3 level and effects of geometrical changes in amino groups

International Journal of Quantum Chemistry ◽

10.1002/qua.1045 ◽

2001 ◽

Vol 82 (6) ◽

pp. 299-312 ◽

Cited By ~ 8

Author(s):

A. K. Singh ◽

P. S. Kushwaha ◽

P. C. Mishra

Keyword(s):

Ab Initio ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Amino Groups ◽

Molecular Electrostatic Potential Maps

Download Full-text

Synthesis, Crystal Structures, Insecticidal Activities, and Structure−Activity Relationships of NovelN′-tert-Butyl-N′-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide Derivatives

Journal of Agricultural and Food Chemistry ◽

10.1021/jf104196t ◽

2011 ◽

Vol 59 (2) ◽

pp. 635-644 ◽

Cited By ~ 16

Author(s):

Zhiqiang Huang ◽

Yuxiu Liu ◽

Yongqiang Li ◽

Lixia Xiong ◽

Zhipeng Cui ◽

...

Keyword(s):

Crystal Structures ◽

Tert Butyl ◽

Structure Activity Relationships ◽

Structure Activity ◽

Insecticidal Activities

Download Full-text

Structure–activity relationships and crystal structures of some interesting oxazolidinones

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767396089167 ◽

1996 ◽

Vol 52 (a1) ◽

pp. C258-C258

Author(s):

W. Watt ◽

F. Han ◽

J. H. VanDrie ◽

L. M. Thomasco

Keyword(s):

Crystal Structures ◽

Structure Activity Relationships ◽

Structure Activity

Download Full-text