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Akademický článek

Computational Investigation with Toxicophore Study of 1,2,3-Triazole Derivatives as an Effective Inhibitor Against Prostate Cancer.

Autor: Koubi, Y.¹ (AUTHOR), Moukhliss, Y.¹ (AUTHOR), Abdessadak, O.¹ (AUTHOR), Alaqarbeh, M.² (AUTHOR) marwaqarbh@hotmail.com, Ajanaa, M. A.¹ (AUTHOR), Maghat, H.¹ (AUTHOR), Lakhlifi, T.¹ (AUTHOR), Bouachrine, M.¹ (AUTHOR)

Publikováno v: Russian Journal of General Chemistry. Sep2024, Vol. 94 Issue 9, p2445-2459. 15p.

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Akademický článek

Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox studies.

Autor: Boutalaka M; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., El Bahi S; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Alaqarbeh M; National Agricultural Research Center, Al-Baqa, Jordan., El Alaouy MA; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Koubi Y; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Khatabi KE; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Maghat H; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Bouachrine M; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.; EST Khenifra, Sultan Moulay Slimane University, Beni Mellal, Morocco., Lakhlifi T; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Jul; Vol. 42 (10), pp. 5268-5287. Date of Electronic Publication: 2023 Jul 09.

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In silico design of new pyrimidine-2,4-dione derivatives as promising inhibitors for HIV Reverse Transcriptase-associated RNase H using 2D-QSAR modeling and (ADME/Tox) properties

Autor: El Masaoudy, Y., Tabti, K., Koubi, Y., Maghat, H., Lakhlifi, T., Bouachrine, M.

The main target of present QSAR modeling is to pave the way for the development of new pyrimidine-2,4-dione derivatives and predict their HIV reverse transcriptase-associated RNase H inhibitory activity. To accelerate this process, linear and non-lin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d06508d134df46d69cefc437826d5117

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Akademický článek

Design of novel isoxazole derivatives as tubulin inhibitors using computer-aided techniques: QSAR modeling, in silico ADMETox, molecular docking, molecular dynamics, biological efficacy, and retrosynthesis.

Autor: Moukhliss Y; Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Koubi Y; Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Zafar I; Department of Bioinformatics and Computational Biology, Virtual University of Pakistan, Lahore, Punjab, Pakistan., Alaqarbeh M; Basic Science Department, Prince Al Hussein Bin Abdullah II Academy for Civil Protection, Al-Balqa Applied University, Al-Salt, Jordan., Maghat H; Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Sbai A; Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Lakhlifi T; Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco., Bouachrine M; Molecular Chemistry and Natural Substances Laboratory (MCNSL), Department of Chemistry, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.; EST Khenifra, Sultan Moulay Sliman University, Beni-Mellal, Morocco.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Feb 14, pp. 1-12. Date of Electronic Publication: 2024 Feb 14.

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