OPEN ACCESS | PEER-REVIEWED | RESEARCH ARTICLE | DOWNLOAD PDF | VIEW FULL-TEXT PDF | TOTAL VIEWS
QSAR and docking studies of α,β-unsaturated carbonyl compounds against human breast adenocarcinoma cell line MCF-7
Maysoon Mohammed Almahdi (1,*) , Ahmed Elsadig Mohamed Saeed (2) , Nadia Hanafy Metwally (3)
(1) Department of Chemistry, College of Education, Alzaiem Alazhari University, 1432, Khartoum, Sudan
(2) Department of Chemistry, College of Science, Sudan University of Science and Technology, 407, Khartoum, Sudan
(3) Department of Chemistry, Faculty of Science, Cairo University, 12613, Giza, Egypt
(*) Corresponding Author
Received: 19 Jun 2018 | Revised: 08 Jul 2018 | Accepted: 28 Jul 2018 | Published: 30 Sep 2018 | Issue Date: September 2018
A quantitative structure-activity relationships (QSAR) studies were carried out by correlating activity against human breast adenocarcinoma cell line MCF-7 of series of α,β-unsaturated carbonyl compounds with their physicochemical descriptors using multiple linear regression method. The predictability of the QSAR model was estimated using internal and external predictivity methods. The best QSAR model was selected, having the squared correlation coefficient r2 = 0.84684, correlation coefficient r = 0.9202, standard deviation s = 0.38484, and cross-validated squared correlation coefficient Q2 = 0.7621. Model obtained was used to predicted the activity against breast cancer for a set of designed α,β-unsaturated carbonyl compounds (A1-A16). Docking studies was performed for A1-A16 compounds to evaluated their inhibition on c-Met kinase, which has been overexpressed in a number of cancers.
Our editors have decided to support scientists to publish their manuscripts in European Journal of Chemistry without any financial constraints.
1- The article processing fee will not be charged from the articles containing the single-crystal structure characterization between November 15, 2022 and December 28, 2022 (Voucher code: SINGLE2022).
2. Young writers will not be charged for the article processing fee between November 15, 2022 and December 28, 2022 (Voucher code: YOUNG2022).
3. The article processing fee will not be charged from the articles containing a part of the PhD thesis between November 15, 2022 and December 28, 2022 (Voucher code: PhD2022).
4. The article processing fee will not be charged from authors who have at least one publication in the European Journal of Chemistry between November 15, 2022 and December 28, 2022 (Voucher code: (Voucher code: AUTHOR2022).
European Journal of Chemistry
Links for Article
| | | | | | |
| | | | | | |
| | | |
Article MetricsThis Abstract was viewed 986 times | PDF Article downloaded 363 times
. Rathore, P.; Yaseen, S.; Ovais, S.; Bashir, R.; Yaseen, R.; Hameed, A. D.; Samima, M.; Gupta, R.; Hussain, F.; Javed, K. Bioorg. Med. Chem. Lett. 2014, 24, 1685-1691.
. Karabacak, M.; Altıntop, M. D.; Ciftci, H. I.; Koga, R.; Otsuka, M.; Fujita, M.; Ozdemir, A. Molecules 2015, 20, 19066-19084.
. Ghorab, M. M.; Ceruso, M.; Alsaid, M. S.; Nissan, Y. M.; Arafa, R. K.; Supuran, C. T. Eur. J. Med. Chem. 2014, 87, 186-196.
. Ferdous, S.; Mirza, M. U.; Saeed, U. Int. J. Comput. Appl. 2013, 67, 0975-8887.
. Farag, A. M.; Mayhoub, A. S.; Eldebss, T. M. A.; Amr, A. E.; Ali, K. A. K.; Abdel-Hafez, N. A.; AbdullaAhmad, M. M. Arch. Pharm. Chem. Life Sci. 2010, 343, 384-396.
. Rai, U. S.; Isloor, A. M.; Shetty, P.; Pai, K. S. R.; Fun, H. K. Arab. J. Chem. 2010, 8, 317-321.
. Nantasenamat, C.; Isarankura-Na-Ayudhya, C.; Naenna, T.; Prachayasittikul, V. Excli J. 2009, 8, 74-88.
. Podunavac-Kuzmanovic, S. O.; Cvetkovic, D. D.; Barna, D. J. Int. J. Mol. Sci. 2009, 10, 1670-1682.
. Syam, S.; Abdelwahab, S. I.; Al-Mamary, M. A,; Mohan, S. Molecules 2012, 17, 6179-6195.
. Vaidya, S. S.; Vinaya, H.; Mahajan, S. S. Med. Chem. Res. 2012, 21, 1-13.
. Yadav, D. K.; Ahmad, I.; Shukla, A.; Khan, F.; Negi, A. S.; Gupta, A. J. Chemom. 2014, 28, 499-507.
. Elavarasan, T.; Bhakiaraj, D.; Gopalakrishnan, M. Der. Pharma. Chemica. 2014, 6, 391-400.
. Eathiraj, S.; Palma, R.; Volckova, E.; Hirschi, M.; France, D. S.; Ashwell, M. A.; ChanSudharshan, T. C. K. J. Biol. Chem. 2011, 23, 20666-20676.
. Ye, L.; Wu, J.; Chen, W.; Feng, Y.; Shen, Z. S RSC Adv. 2017, 7, 3760-3767.
How to cite
The other citation formats (EndNote | Reference Manager | ProCite | BibTeX | RefWorks) for this article can be found online at: How to cite item
DOI Link: https://doi.org/10.5155/eurjchem.9.3.275-280.1765
| | | | | | | |
| | | | | | |
Save to Zotero Save to Mendeley
European Journal of Chemistry 2018, 9(3), 275-280 | doi: https://doi.org/10.5155/eurjchem.9.3.275-280.1765 | Get rights and content
- There are currently no refbacks.
Copyright (c) 2018 Authors
This work is published and licensed by Atlanta Publishing House LLC, Atlanta, GA, USA. The full terms of this license are available at http://www.eurjchem.com/index.php/eurjchem/pages/view/terms and incorporate the Creative Commons Attribution-Non Commercial (CC BY NC) (International, v4.0) License (http://creativecommons.org/licenses/by-nc/4.0). By accessing the work, you hereby accept the Terms. This is an open access article distributed under the terms and conditions of the CC BY NC License, which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited without any further permission from Atlanta Publishing House LLC (European Journal of Chemistry). No use, distribution or reproduction is permitted which does not comply with these terms. Permissions for commercial use of this work beyond the scope of the License (http://www.eurjchem.com/index.php/eurjchem/pages/view/terms) are administered by Atlanta Publishing House LLC (European Journal of Chemistry).
© Copyright 2010 - 2022 • Atlanta Publishing House LLC • All Right Reserved.
The opinions expressed in all articles published in European Journal of Chemistry are those of the specific author(s), and do not necessarily reflect the views of Atlanta Publishing House LLC, or European Journal of Chemistry, or any of its employees.
Copyright 2010-2022 Atlanta Publishing House LLC. All rights reserved. This site is owned and operated by Atlanta Publishing House LLC whose registered office is 2850 Smith Ridge Trce Peachtree Cor GA 30071-2636, USA. Registered in USA.