The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine. / Gordon, Keith C; McGoverin, Cushla M; Strachan, Clare J; Rades, Thomas.

In: Journal of Pharmacy and Pharmacology, Vol. 59, No. 2, 2007, p. 271-7.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Gordon, KC, McGoverin, CM, Strachan, CJ & Rades, T 2007, 'The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine', Journal of Pharmacy and Pharmacology, vol. 59, no. 2, pp. 271-7. https://doi.org/10.1211/jpp.59.2.0013

APA

Gordon, K. C., McGoverin, C. M., Strachan, C. J., & Rades, T. (2007). The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine. Journal of Pharmacy and Pharmacology, 59(2), 271-7. https://doi.org/10.1211/jpp.59.2.0013

Vancouver

Gordon KC, McGoverin CM, Strachan CJ, Rades T. The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine. Journal of Pharmacy and Pharmacology. 2007;59(2):271-7. https://doi.org/10.1211/jpp.59.2.0013

Author

Gordon, Keith C ; McGoverin, Cushla M ; Strachan, Clare J ; Rades, Thomas. / The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine. In: Journal of Pharmacy and Pharmacology. 2007 ; Vol. 59, No. 2. pp. 271-7.

Bibtex

@article{531cc27bddf0440aa0c87afe64bf9610,
title = "The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine",
abstract = "A number of case studies that illustrate how quantum chemistry may be used in studying pharmaceutical systems are reviewed. A brief introduction to quantum methods is provided and the use of these methods in understanding the structure and properties of indometacin and carbamazepine is discussed. The use of calculated structures and molecular electrostatic potentials in developing quantitative structure-activity relationships is discussed along with the use of computation chemistry to predict spectroscopic properties.",
keywords = "Binding Sites, Carbamazepine, Indomethacin, Molecular Structure, Quantum Theory, Spectrophotometry, Infrared, Spectrum Analysis, Raman, Technology, Pharmaceutical",
author = "Gordon, {Keith C} and McGoverin, {Cushla M} and Strachan, {Clare J} and Thomas Rades",
year = "2007",
doi = "10.1211/jpp.59.2.0013",
language = "English",
volume = "59",
pages = "271--7",
journal = "Journal of Pharmacy and Pharmacology",
issn = "0022-3573",
publisher = "JohnWiley & Sons Ltd",
number = "2",

}

RIS

TY - JOUR

T1 - The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine

AU - Gordon, Keith C

AU - McGoverin, Cushla M

AU - Strachan, Clare J

AU - Rades, Thomas

PY - 2007

Y1 - 2007

N2 - A number of case studies that illustrate how quantum chemistry may be used in studying pharmaceutical systems are reviewed. A brief introduction to quantum methods is provided and the use of these methods in understanding the structure and properties of indometacin and carbamazepine is discussed. The use of calculated structures and molecular electrostatic potentials in developing quantitative structure-activity relationships is discussed along with the use of computation chemistry to predict spectroscopic properties.

AB - A number of case studies that illustrate how quantum chemistry may be used in studying pharmaceutical systems are reviewed. A brief introduction to quantum methods is provided and the use of these methods in understanding the structure and properties of indometacin and carbamazepine is discussed. The use of calculated structures and molecular electrostatic potentials in developing quantitative structure-activity relationships is discussed along with the use of computation chemistry to predict spectroscopic properties.

KW - Binding Sites

KW - Carbamazepine

KW - Indomethacin

KW - Molecular Structure

KW - Quantum Theory

KW - Spectrophotometry, Infrared

KW - Spectrum Analysis, Raman

KW - Technology, Pharmaceutical

U2 - 10.1211/jpp.59.2.0013

DO - 10.1211/jpp.59.2.0013

M3 - Journal article

C2 - 17270080

VL - 59

SP - 271

EP - 277

JO - Journal of Pharmacy and Pharmacology

JF - Journal of Pharmacy and Pharmacology

SN - 0022-3573

IS - 2

ER -

ID: 40354461