The Use of the Molecular Electrostatic Potential in Medicinal Chemistry

Methods and Principles in Medicinal Chemistry - Quantum Medicinal Chemistry ◽

10.1002/3527602712.ch8 ◽

2005 ◽

pp. 233-254 ◽

Cited By ~ 1

Author(s):

Jane S. Murray ◽

Peter Politzer

Keyword(s):

Electrostatic Potential ◽

Medicinal Chemistry ◽

Molecular Electrostatic Potential

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Similarity of molecular electrostatic potential distributions in a series of HMG-CoA reductase inhibitors. Preliminary results

Journal de Chimie Physique ◽

10.1051/jcp/1991882639 ◽

1991 ◽

Vol 88 ◽

pp. 2639-2644 ◽

Cited By ~ 1

Author(s):

U Cosentino ◽

G Moro ◽

D Pitea

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Hmg Coa Reductase ◽

Preliminary Results ◽

Reductase Inhibitors ◽

Hmg Coa Reductase Inhibitors ◽

Coa Reductase

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Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

New Journal of Chemistry ◽

10.1039/d0nj05362g ◽

2021 ◽

Author(s):

Thufail M. Ismail ◽

Neetha Mohan ◽

P. K. Sajith

Keyword(s):

Hydrogen Bonding ◽

Interaction Energy ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Theoretical Study ◽

Nitroxide Radicals ◽

Hydrogen Bonding Interactions ◽

Bonded Complexes ◽

Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

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Analysis of the structural, spectroscopic, and molecular electrostatic potential (MESP) of (amino)carbonothionyl (nitro)benzamide derivatives

Phosphorus Sulfur and Silicon and the Related Elements ◽

10.1080/10426507.2021.1920589 ◽

2021 ◽

pp. 1-12

Author(s):

Omotola M. Fayomi ◽

Adebayo A. Adeniyi ◽

R. Sha’Ato

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Benzamide Derivatives

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A quantum chemical study of the dimerization of indanedionyl radicals by the indo and molecular electrostatic potential methods

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science ◽

10.1007/bf00947725 ◽

1985 ◽

Vol 34 (3) ◽

pp. 571-575

Author(s):

V. B. Luzhkov ◽

V. I. Nikulin ◽

L. M. Pisarenko ◽

G. N. Bogdanov

Keyword(s):

Electrostatic Potential ◽

Quantum Chemical ◽

Molecular Electrostatic Potential ◽

Quantum Chemical Study ◽

Chemical Study ◽

Potential Methods

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Molecular electrostatic potential of D1 and D2 dopamine agonists

Journal of Medicinal Chemistry ◽

10.1021/jm00027a028 ◽

1994 ◽

Vol 37 (1) ◽

pp. 210-213 ◽

Cited By ~ 13

Author(s):

Ibon Alkorta ◽

Hugo O. Villar

Keyword(s):

Electrostatic Potential ◽

Dopamine Agonists ◽

Molecular Electrostatic Potential

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Correlations between the solvent hydrogen bond acceptor parameter .beta. and the calculated molecular electrostatic potential

The Journal of Organic Chemistry ◽

10.1021/jo00011a060 ◽

1991 ◽

Vol 56 (11) ◽

pp. 3734-3737 ◽

Cited By ~ 81

Author(s):

Jane S. Murray ◽

Shoba Ranganathan ◽

Peter Politzer

Keyword(s):

Hydrogen Bond ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Hydrogen Bond Acceptor

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Study of Hydration Inhibitors on Aluminum Oxide Using Tunneling Spectroscopy and Molecular Electrostatic Potential Calculations

Journal of The Electrochemical Society ◽

10.1149/1.2113956 ◽

1985 ◽

Vol 132 (4) ◽

pp. 773-780 ◽

Cited By ~ 5

Author(s):

H. W. White ◽

C. D. Crowder ◽

G. P. Alldredge

Keyword(s):

Aluminum Oxide ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Tunneling Spectroscopy

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Calculation of molecular geometries, relative conformational energies, dipole moments, and molecular electrostatic potential fitted charges of small organic molecules of biochemical interest by density functional theory

Journal of Computational Chemistry ◽

10.1002/jcc.540161206 ◽

1995 ◽

Vol 16 (12) ◽

pp. 1483-1506 ◽

Cited By ~ 64

Author(s):

Alain St.-Amant ◽

Wendy D. Cornell ◽

Peter A. Kollman ◽

Thomas A. Halgren

Keyword(s):

Density Functional Theory ◽

Electrostatic Potential ◽

Density Functional ◽

Molecular Electrostatic Potential ◽

Organic Molecules ◽

Dipole Moments ◽

Functional Theory ◽

Small Organic Molecules ◽

Conformational Energies

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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

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A pharmacophore for high affinity PAF antagonists. I. Electronic model using molecular electrostatic potential

Journal of Lipid Mediators and Cell Signalling ◽

10.1016/0929-7855(95)00058-5 ◽

1996 ◽

Vol 13 (3) ◽

pp. 249-282 ◽

Cited By ~ 1

Author(s):

HervéLe Solleu ◽

Michel Lagueffe ◽

Michel Saux ◽

Jean-Pierre Dubost

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

High Affinity ◽

Paf Antagonists ◽

Electronic Model

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