SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION

Volume: 2 Number: 2 January 30, 2015
Journal of the Turkish Chemical Society Section A: Chemistry Cover
Journal of the Turkish Chemical Society Section A: Chemistry
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SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION

Abstract

In this study, enthalpy (ΔH), heat formation (ΔHf), entropy (ΔS), HOMO and LUMO values and dipole moments, possible H-bonds values belong to diabetes (D), cholesterol (K) and blood pressure (T) drugs (Table 1), and the binary interactions of the molecules have been calculated by MOPAC2012 packet program [1, 2] at the Restricted Hartree-Fock level using both PM6 and PM7 semi-empirical SCF-MO methods.Product stabilities were calculated for products formed the binary interaction by using ΔG and ΔGf values.

The most stable products were K2-D1 both for PM6 and PM7at T=298 K, at T=310 K, K2-D1 for PM6 and K2-D1, K3-D1 for PM7 using ΔGf values; D1-T3 was at T=298K and 310K for PM6 and PM7, K3-D1 and D1-T3 were both at T=298K and 310K for PM6 and PM7 by ΔG values, have been calculated.

Keywords

References

  1. http://www.drugbank.ca
  2. J. Stewart MOPAC2012, Stewart Computational Chemistry, Version 14.128W,(2012).

Details

Primary Language

English

Subjects

-

Journal Section

-

Authors

Münevver Harzadın This is me

Temir Demir This is me

Publication Date

January 30, 2015

Submission Date

January 27, 2015

Acceptance Date

-

Published in Issue

Year 2015 Volume: 2 Number: 2

DOI

https://doi.org/10.18596/jotcsa.96982

IZ

https://izlik.org/JA79BB38HX

Cite

RIS / Bibtex
APA
Harzadın, M., Berber, H., & Demir, T. (2015). SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION. Journal of the Turkish Chemical Society Section A: Chemistry, 2(2), 93-95. https://doi.org/10.18596/jotcsa.96982
AMA
1.Harzadın M, Berber H, Demir T. SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION. JOTCSA. 2015;2(2):93-95. doi:10.18596/jotcsa.96982
Chicago
Harzadın, Münevver, Halil Berber, and Temir Demir. 2015. “SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION”. Journal of the Turkish Chemical Society Section A: Chemistry 2 (2): 93-95. https://doi.org/10.18596/jotcsa.96982.
EndNote
Harzadın M, Berber H, Demir T (January 1, 2015) SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION. Journal of the Turkish Chemical Society Section A: Chemistry 2 2 93–95.
IEEE
[1]M. Harzadın, H. Berber, and T. Demir, “SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION”, JOTCSA, vol. 2, no. 2, pp. 93–95, Jan. 2015, doi: 10.18596/jotcsa.96982.
ISNAD
Harzadın, Münevver - Berber, Halil - Demir, Temir. “SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION”. Journal of the Turkish Chemical Society Section A: Chemistry 2/2 (January 1, 2015): 93-95. https://doi.org/10.18596/jotcsa.96982.
JAMA
1.Harzadın M, Berber H, Demir T. SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION. JOTCSA. 2015;2:93–95.
MLA
Harzadın, Münevver, et al. “SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION”. Journal of the Turkish Chemical Society Section A: Chemistry, vol. 2, no. 2, Jan. 2015, pp. 93-95, doi:10.18596/jotcsa.96982.
Vancouver
1.Münevver Harzadın, Halil Berber, Temir Demir. SEMI-EMPIRICAL DETERMINATION OF DIABETES, CHOLESTEROL AND BLOOD PRESSURE DRUG ACTIVE COMPOUNDS AND THEIR BINARY INTERACTION. JOTCSA. 2015 Jan. 1;2(2):93-5. doi:10.18596/jotcsa.96982

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