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Journal of Taibah University for Science Volume 10, 2016 - Issue 6
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Original Article

QSPR studies of 9-aniliioacridine derivatives for their DNA drug binding properties based on density functional theory using statistical methods: Model, validation and influencing factorsFootnote

Samir ChtitaMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, MoroccoCorrespondence[email protected]
,
Rachid HmamouchiMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco
,
Majdouline LarifSeparation Process Laboratory, Faculty of Science, University Ibn Tofail, Kenitra, Morocco
,
Mounir GhamaliMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco
,
Mohammed BouachrineHigh School of Technology, University Moulay Ismail, Meknes, Morocco
&
Tahar LakhlifiMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, MoroccoCorrespondence[email protected]
Pages 868-876 | Published online: 16 Apr 2018

Citations (20)

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Anis Ul Islam, Hanine Hadni, Ferdausi Ali, Abdelsalam Abuzreda & Sarkar M. A. Kawsar. (2024) Synthesis, antimicrobial activity, molecular docking, molecular dynamics simulation, and ADMET properties of the mannopyranoside derivatives as antimicrobial agents. Journal of Taibah University for Science 18:1.
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Assia Belhassan, Samir Chtita, Tahar Lakhlifi & Mohammed Bouachrine. (2017) QSPR study of the retention/release property of odorant molecules in pectin gels using statistical methods. Journal of Taibah University for Science 11:6, pages 1030-1046.
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Articles from other publishers (18)

Virendra Kumar & Shibsankar Das. (2024) Comparative study of GQ and QG indices as potentially favorable molecular descriptors. International Journal of Quantum Chemistry 124:3.
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Mahdi Jafari, Tahereh Momeni Isfahani, Fatemeh Shafiei & Masumeh Abdoli Senejani. (2023) QSPR study to predict some of quantum chemical properties of anticancer imidazo[4,5‐b]pyridine derivatives using genetic algorithm multiple linear regression and molecular descriptors . International Journal of Quantum Chemistry 124:1.
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Hatim Soufi, Mohammed Salah, Said Belaaouad & Mohammed Moutaabbid. (2023) An Insightful Evaluation of Evodiamine Analogs Effect as DNA Topoisomerase I Inhibitors Using QSAR Method. Proceedings of the National Academy of Sciences, India Section B: Biological Sciences 93:3, pages 639-657.
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Mouna Baassi, Mohamed Moussaoui, Hatim Soufi, Sanchaita Rajkhowa, Ashwani Sharma, Subrata Sinha & Said Belaaouad. (2023) Towards designing of a potential new HIV-1 protease inhibitor using QSAR study in combination with Molecular docking and Molecular dynamics simulations. PLOS ONE 18:4, pages e0284539.
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Dharmishtha R. Parmar & B. N. Suhagia. (2023) QSAR Study of N-((3-Benzamido-4-oxo-3,4-Dihydroquinazolin 2-yl)methyl)-N-(Substituted) Phenyl Benzamide as Antiulcer Agents. International Journal of Quantitative Structure-Property Relationships 8:1, pages 1-14.
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Pubalee Sarmah & Ramesh Chandra Deka. (2022) Reactivity of 9-anilinoacridine Derivatives as Potent Anticancer Agents: A DFT Approach. Current Physical Chemistry 12:3, pages 203-215.
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A. Goudzal, E. Hadaji, M. Bouachrine, H. El Hamdani & A. Ouammou. (2022) QSAR and docking molecular models to predict anti-cancer activity on a series of azacalix [2] arene [2] pyrimidine derivatives as anticancer agents. Materials Today: Proceedings 51, pages 1831-1837.
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Ossama Daoui, Souad Elkhattabi, Samir Chtita, Rachida Elkhalabi, Hsaine Zgou & Adil Touimi Benjelloun. (2021) QSAR, molecular docking and ADMET properties in silico studies of novel 4,5,6,7-tetrahydrobenzo[D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor agents through inhibition of C-Met receptor tyrosine kinase. Heliyon 7:7, pages e07463.
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Samir Chtita, Assia Belhassan, Mohamed Bakhouch, Abdelali Idrissi Taourati, Adnane Aouidate, Salah Belaidi, Mohammed Moutaabbid, Said Belaaouad, Mohammed Bouachrine & Tahar Lakhlifi. (2021) QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods. Chemometrics and Intelligent Laboratory Systems 210, pages 104266.
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Samir Chtita, Adnane Aouidate, Assia Belhassan, Abdellah Ousaa, Abdelali Idrissi Taourati, Bouhya Elidrissi, Mounir Ghamali, Mohammed Bouachrine & Tahar Lakhlifi. (2020) QSAR study of N -substituted oseltamivir derivatives as potent avian influenza virus H5N1 inhibitors using quantum chemical descriptors and statistical methods . New Journal of Chemistry 44:5, pages 1747-1760.
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Aqsa Habib, Haq Nawaz Bhatti, Munawar Iqbal, Sadia Asim & Asim Mansha. (2019) 4-Acetamidophenol Binding Mechanism with DNA by UV-Vis and FTIR Techniques Based on Binding Energy, LUMO and HOMO Orbitals and Geometry of Molecule. Zeitschrift für Physikalische Chemie 233:11, pages 1645-1657.
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Shounak Datta, Vikrant A. Dev & Mario R. Eden. (2019) Using correlation based adaptive LASSO algorithm to develop QSPR of antitumour agents for DNA–drug binding prediction. Computers & Chemical Engineering 122, pages 258-264.
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A. Belhassan, S. Chtita, T. Lakhlifi & M. Bouachrine. (2019) QSPR Study of the Retention/Release Property of Odorant Molecules in Water, Dairy and Pectin gels. Materials Today: Proceedings 13, pages 621-629.
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El Ghalia Hadaji, Abdelkarim Ouammou & Mohammed Bouachrine. (2018) QSAR Study of Anthra[1,9-cd]pyrazol-6(2H)-one Derivatives as Potential Anticancer Agents Using Statistical Methods. Advances in Chemistry 2018, pages 1-16.
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Samir Chtita, Mounir Ghamali, Majdouline Larif, Rachid Hmamouchi, Mohammed Bouachrine & Tahar Lakhlifi. (2017) Quantitative Structure–Activity Relationship Studies of Anticancer Activity for Isatin (1H-indole-2,3-dione) Derivatives Based on Density Functional Theory. International Journal of Quantitative Structure-Property Relationships 2:2, pages 90-115.
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El Ghalia Hadaji, Mohamed Bourass, Abdelkarim Ouammou & Mohammed Bouachrine. (2017) Organic Compounds Based on (E)-N-Aryl-2-ethene-sulfonamide as Microtubule Targeted Agents in Prostate Cancer: QSAR Study. Advances in Physical Chemistry 2017, pages 1-14.
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Shounak Datta, Vikrant A. Dev & Mario R. Eden. 2017. 27th European Symposium on Computer Aided Process Engineering. 27th European Symposium on Computer Aided Process Engineering 2767 2772 .
Samir Chtita, Mounir Ghamali, Rachid Hmamouchi, Bouhya Elidrissi, Mohamed Bourass, Majdouline Larif, Mohammed Bouachrine & Tahar Lakhlifi. (2016) Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis. Advances in Physical Chemistry 2016, pages 1-16.
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