One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones

The title compounds with different 5-substituted imidazolidine-2,4-dione were synthesized through a solvent-free reaction. Imidazolidine-2,4-dione derivatives are found to be an active pharmacophore for design and development of various bioactive lead compounds. Positive values of energy obtained f...

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Main Authors:	Zanko S. Jawhar, Hiwa O. Ahmed, Asmaa A. Haydar, Halala A. Abdullah, Sawza A. Mahamad
Format:	Article
Language:	English
Published:	University of Zakho 2018-12-01
Series:	Science Journal of University of Zakho
Subjects:	imidazolidine-2 4-dione derivatives Prostate cancer computational study Energy biological activity
Online Access:	https://sjuoz.uoz.edu.krd/index.php/sjuoz/article/view/541

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spelling	doaj-5b7683ee19f342f9ac6038086aebfc2b2020-11-25T02:10:36Zeng University of ZakhoScience Journal of University of Zakho2663-628X2663-62982018-12-016415015410.25271/sjuoz.2018.6.4.541541One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-DionesZanko S. Jawhar0Hiwa O. Ahmed1Asmaa A. Haydar2Halala A. Abdullah3Sawza A. Mahamad4Department of Clinical Biochemistry, College of Health Sciences, Hawler Medical University, Hawler, Kurdistan Region, Iraq.Department of Pharmaceutical Chemistry, College of Pharmacy, Hawler Medical University, Hawler, Kurdistan Region, Iraq.Department of pharmacology, College of Pharmacy, Hawler Medical University, Hawler, Kurdistan Region, Iraq.Department of chemistry, College of Science, Soran University, Kurdistan Region, Iraq.Department of chemistry, College of Science, Soran University, Kurdistan Region, Iraq.The title compounds with different 5-substituted imidazolidine-2,4-dione were synthesized through a solvent-free reaction. Imidazolidine-2,4-dione derivatives are found to be an active pharmacophore for design and development of various bioactive lead compounds. Positive values of energy obtained for compound 1and 3, while a negative value for compound 2 was calculated by DFT in Gaussian. keto-enol tautomerism was supported by energy values and indicated the most stable tautomeric form. The biological evaluation has been supported by docking studies using molecular operating environment program to show binding with androgen receptor. Supplementary Materials: https://sjuoz.uoz.edu.krd/suppmahttps://sjuoz.uoz.edu.krd/index.php/sjuoz/article/view/541imidazolidine-24-dione derivativesProstate cancercomputational studyEnergybiological activity
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Zanko S. Jawhar Hiwa O. Ahmed Asmaa A. Haydar Halala A. Abdullah Sawza A. Mahamad
spellingShingle	Zanko S. Jawhar Hiwa O. Ahmed Asmaa A. Haydar Halala A. Abdullah Sawza A. Mahamad One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones Science Journal of University of Zakho imidazolidine-2 4-dione derivatives Prostate cancer computational study Energy biological activity
author_facet	Zanko S. Jawhar Hiwa O. Ahmed Asmaa A. Haydar Halala A. Abdullah Sawza A. Mahamad
author_sort	Zanko S. Jawhar
title	One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones
title_short	One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones
title_full	One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones
title_fullStr	One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones
title_full_unstemmed	One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones
title_sort	one-pot synthesis, pharmacological evaluation, docking study, and dft calculations for selected imidazolidine-2,4-diones
publisher	University of Zakho
series	Science Journal of University of Zakho
issn	2663-628X 2663-6298
publishDate	2018-12-01
description	The title compounds with different 5-substituted imidazolidine-2,4-dione were synthesized through a solvent-free reaction. Imidazolidine-2,4-dione derivatives are found to be an active pharmacophore for design and development of various bioactive lead compounds. Positive values of energy obtained for compound 1and 3, while a negative value for compound 2 was calculated by DFT in Gaussian. keto-enol tautomerism was supported by energy values and indicated the most stable tautomeric form. The biological evaluation has been supported by docking studies using molecular operating environment program to show binding with androgen receptor. Supplementary Materials: https://sjuoz.uoz.edu.krd/suppma
topic	imidazolidine-2 4-dione derivatives Prostate cancer computational study Energy biological activity
url	https://sjuoz.uoz.edu.krd/index.php/sjuoz/article/view/541
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One-Pot Synthesis, Pharmacological Evaluation, Docking Study, and DFT Calculations for Selected Imidazolidine-2,4-Diones

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