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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 5
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Research Articles

In silico design and analysis of NS4B inhibitors against hepatitis C virus

Ismail Hdoufanea Department of Chemistry, Faculty of Science Semlalia, Laboratory of Molecular Chemistry, Marrakech, MoroccoORCID Iconhttps://orcid.org/0000-0002-1435-5131
ORCID Icon,
Imane Bjija Department of Chemistry, Faculty of Science Semlalia, Laboratory of Molecular Chemistry, Marrakech, Morocco;b School of Health Sciences, University of KwaZulu-Natal, Westville, Durban, South AfricaORCID Iconhttps://orcid.org/0000-0002-4393-6867
ORCID Icon,
Mehdi Oubahmanea Department of Chemistry, Faculty of Science Semlalia, Laboratory of Molecular Chemistry, Marrakech, MoroccoORCID Iconhttps://orcid.org/0000-0003-2465-0537
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Mahmoud E.S Solimanb School of Health Sciences, University of KwaZulu-Natal, Westville, Durban, South AfricaORCID Iconhttps://orcid.org/0000-0002-8711-7783
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Didier Villeminc Ecole Nationale Supérieure d'Ingénieurs (E.N.S.I.) I. S. M. R. A., LCMT, UMR CNRS n° 6507, Caen, France
&
Driss Cherqaouia Department of Chemistry, Faculty of Science Semlalia, Laboratory of Molecular Chemistry, Marrakech, MoroccoCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0003-1327-306X
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Pages 1915-1929 | Received 18 Jun 2020, Accepted 02 Oct 2020, Published online: 29 Oct 2020

Citations (6)

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Stephen Ejeh, Adamu Uzairu, Gideon A. Shallangwa, Stephen E. Abechi & Muhammad Tukur Ibrahim. (2023) Pharmacoinformatics-based strategy in designing and profiling of some Pyrazole analogues as novel hepatitis C virus inhibitors with pharmacokinetic analysis. Egyptian Journal of Basic and Applied Sciences 10:1, pages 240-254.
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Articles from other publishers (5)

Stephen Ejeh, Adamu Uzairu, Gideon Adamu Shallangwa, Stephen Eyije Abechi, Muhammad Tukur Ibrahim, Ramith Ramu & Mohammed Al-Ghorbani. (2023) Chemical bioinformatics study of Nonadec-7-ene-4-carboxylic acid derivatives via molecular docking, and molecular dynamic simulations to identify novel lead inhibitors of hepatitis c virus NS3/4a protease. Scientific African 20, pages e01591.
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Mehdi Oubahmane, Ismail Hdoufane, Christelle Delaite, Adlane Sayede, Driss Cherqaoui & Achraf El Allali. (2023) Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations. Pharmaceuticals 16:4, pages 608.
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Stephen Ejeh, Adamu Uzairu, Gideon Adamu Shallangwa, Stephen Eyije Abechi, Muhammad Tukur Ibrahim & Ramith Ramu. (2023) Cheminformatics study of some indole compounds through QSAR modeling, ADME prediction, molecular docking, and molecular dynamic simulation to identify novel inhibitors of HCV NS5B protease. Journal of the Indian Chemical Society 100:3, pages 100955.
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Jinhong Ren, Tasneem M. Vaid, Hyun Lee, Isabel Ojeda & Michael E. Johnson. (2022) Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculations. Journal of Computer-Aided Molecular Design 37:1, pages 53-65.
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Wissal Liman, Mehdi Oubahmane, Ismail Hdoufane, Imane Bjij, Didier Villemin, Rachid Daoud, Driss Cherqaoui & Achraf El Allali. (2022) Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus. Molecules 27:9, pages 2729.
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