Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives

A series of estrone derivatives 3–8 was designed and synthesized using estrone arylmethylenes 2a,b as starting materials and their structures were confirmed by different spectral data and elemental analyses. All the newly sy...

Full description

Bibliographic Details
Main Authors:	Abd El-Galil E. Amr, Elsayed A. Elsayed, Mohamed A. Al-Omar, Hanan O. Badr Eldin, Eman S. Nossier, Mohamed M. Abdallah
Format:	Article
Language:	English
Published:	MDPI AG 2019-01-01
Series:	Molecules
Subjects:	estrogen derivatives design anticancer evaluation molecular modeling studies
Online Access:	https://www.mdpi.com/1420-3049/24/3/416

id	doaj-197d955c5e834ca39f74a9e284104dca
record_format	Article
spelling	doaj-197d955c5e834ca39f74a9e284104dca2020-11-25T00:31:05ZengMDPI AGMolecules1420-30492019-01-0124341610.3390/molecules24030416molecules24030416Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen DerivativesAbd El-Galil E. Amr0Elsayed A. Elsayed1Mohamed A. Al-Omar2Hanan O. Badr Eldin3Eman S. Nossier4Mohamed M. Abdallah5Pharmaceutical Chemistry Department, Drug Exploration & Development Chair (DEDC), College of Pharmacy, King Saud University, Riyadh 11451, Saudi ArabiaZoology Department, Bioproducts Research Chair, Faculty of Science, King Saud University, Riyadh 11451, Saudi ArabiaPharmaceutical Chemistry Department, Drug Exploration & Development Chair (DEDC), College of Pharmacy, King Saud University, Riyadh 11451, Saudi ArabiaChemistry Department, Faculty of Science, King Khalid University, MahailAsir 61421, Saudi ArabiaPharmaceutical Medicinal Chemistry Department, Faculty of Pharmacy (Girls), Al-Azhar University, Cairo 11754, EgyptAtos Pharma, Elkatyba Land, Belbis 44621, El-Sharkya, EgyptA series of estrone derivatives <b>3</b>–<b>8</b> was designed and synthesized using estrone arylmethylenes <b>2a</b>,<b>b</b> as starting materials and their structures were confirmed by different spectral data and elemental analyses. All the newly synthesized compounds exhibited potent in vitro and in vivo cytotoxic activities against breast cancer cell lines. In addition, all compounds were subjected to in vitro and in vivo inhibition assays for EGFR and VEGFR-2 kinases as well as p53 ubiquitination activity to obtain more details about their mechanism of action. Based on the promising results, a molecular docking study was investigated for the most representative compound <b>5a</b> against the two targets, EGFR and VEGFR-2 kinases, to assess its binding affinity, hoping to rationalize and obtain potent anticancer agents in the future.https://www.mdpi.com/1420-3049/24/3/416estrogen derivativesdesignanticancer evaluationmolecular modeling studies
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Abd El-Galil E. Amr Elsayed A. Elsayed Mohamed A. Al-Omar Hanan O. Badr Eldin Eman S. Nossier Mohamed M. Abdallah
spellingShingle	Abd El-Galil E. Amr Elsayed A. Elsayed Mohamed A. Al-Omar Hanan O. Badr Eldin Eman S. Nossier Mohamed M. Abdallah Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives Molecules estrogen derivatives design anticancer evaluation molecular modeling studies
author_facet	Abd El-Galil E. Amr Elsayed A. Elsayed Mohamed A. Al-Omar Hanan O. Badr Eldin Eman S. Nossier Mohamed M. Abdallah
author_sort	Abd El-Galil E. Amr
title	Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives
title_short	Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives
title_full	Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives
title_fullStr	Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives
title_full_unstemmed	Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives
title_sort	design, synthesis, anticancer evaluation and molecular modeling of novel estrogen derivatives
publisher	MDPI AG
series	Molecules
issn	1420-3049
publishDate	2019-01-01
description	A series of estrone derivatives <b>3</b>–<b>8</b> was designed and synthesized using estrone arylmethylenes <b>2a</b>,<b>b</b> as starting materials and their structures were confirmed by different spectral data and elemental analyses. All the newly synthesized compounds exhibited potent in vitro and in vivo cytotoxic activities against breast cancer cell lines. In addition, all compounds were subjected to in vitro and in vivo inhibition assays for EGFR and VEGFR-2 kinases as well as p53 ubiquitination activity to obtain more details about their mechanism of action. Based on the promising results, a molecular docking study was investigated for the most representative compound <b>5a</b> against the two targets, EGFR and VEGFR-2 kinases, to assess its binding affinity, hoping to rationalize and obtain potent anticancer agents in the future.
topic	estrogen derivatives design anticancer evaluation molecular modeling studies
url	https://www.mdpi.com/1420-3049/24/3/416
work_keys_str_mv	AT abdelgalileamr designsynthesisanticancerevaluationandmolecularmodelingofnovelestrogenderivatives AT elsayedaelsayed designsynthesisanticancerevaluationandmolecularmodelingofnovelestrogenderivatives AT mohamedaalomar designsynthesisanticancerevaluationandmolecularmodelingofnovelestrogenderivatives AT hananobadreldin designsynthesisanticancerevaluationandmolecularmodelingofnovelestrogenderivatives AT emansnossier designsynthesisanticancerevaluationandmolecularmodelingofnovelestrogenderivatives AT mohamedmabdallah designsynthesisanticancerevaluationandmolecularmodelingofnovelestrogenderivatives
_version_	1725323928441716736

Design, Synthesis, Anticancer Evaluation and Molecular Modeling of Novel Estrogen Derivatives

Similar Items