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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 1
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Research Articles

3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors

Amina Goudzala Engineering Laboratory of Organometallic, Molecular Materials and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences, Fez, Morocco
,
Abdellah El Aissouqa Engineering Laboratory of Organometallic, Molecular Materials and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences, Fez, Morocco
,
Hicham El Hamdanib MCNS Laboratory, Faculty of Science, University Moulay Ismail, Meknes, MoroccoCorrespondencehadaji_ghalia@hotmail [email protected]
,
El Ghalia Hadajia Engineering Laboratory of Organometallic, Molecular Materials and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences, Fez, MoroccoCorrespondencehadaji_ghalia@hotmail [email protected]
,
Abdelkrim Ouammoua Engineering Laboratory of Organometallic, Molecular Materials and Environment, Sidi Mohamed Ben Abdellah University, Faculty of Sciences, Fez, MoroccoCorrespondencehadaji_ghalia@hotmail [email protected]
&
Mohammed Bouachrinec EST Khenifra, Sultan Moulay Sliman University, Beni Mellal, Morocco
Pages 234-248 | Received 18 Oct 2020, Accepted 06 Nov 2021, Published online: 22 Jan 2022

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Moulay Ahfid El Alaouy, Marwa Alaqarbeh, Mohamed Ouabane, Hanane Zaki, Mohamed ElBouhi, Hassan Badaoui, Youness Moukhliss, Abdelouahid Sbai, Hamid Maghat, Tahar Lakhlifi & Mohammed Bouachrine. (2023) Computational Prediction of 3,5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by 3D-QSAR, molecular docking, molecular dynamics simulation, and ADME-Tox. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Reda El-Mernissi, Ayoub Khaldan, Soukaina Bouamrane, Hafiz Muzzammel Rehman, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi & Mohammed Bouachrine. (2023) 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Mustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, Paul Andrew Mamza, Muhammad Tukur Ibrahim, Anshuman Chandra & Vijay Kumar Goel. (2023) In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agents. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Mustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, Paul Andrew Mamza & Muhammad Tukur Ibrahim. (2022) 2D-QSAR, 3D-QSAR, molecular docking and ADMET prediction studies of some novel 2-((1H-indol-3-yl)thio)-N-phenyl-acetamide derivatives as anti-influenza A virus. Egyptian Journal of Basic and Applied Sciences 9:1, pages 510-532.
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Articles from other publishers (1)

Mustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, Paul Andrew Mamza & Muhammad Tukur Ibrahim. (2022) Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions. Beni-Suef University Journal of Basic and Applied Sciences 11:1.
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