Efficient Synthesis, Structural Characterization, Antibacterial Assessment, ADME-Tox Analysis, Molecular Docking and Molecular Dynamics Simulations of New Functionalized Isoxazoles.

Autor: Arzine, Aziz¹ (AUTHOR) arzineaziz@gmail.com, Hadni, Hanine^2,3 (AUTHOR) hadni.hanine@yahoo.fr, Boujdi, Khalid⁴ (AUTHOR) kh.boujdi@gmail.com, Chebbac, Khalid⁵ (AUTHOR) khalid.chebbac@usmba.ac.ma, Barghady, Najoua¹ (AUTHOR) najoua.barghady@usmba.ac.ma, Rhazi, Yassine¹ (AUTHOR) rhazifilali@gmail.com, Chalkha, Mohammed^1,6 (AUTHOR) asmaenakkabi@yahoo.fr, Nakkabi, Asmae^1,6 (AUTHOR) ghalialhouari@gmail.com, Chkirate, Karim⁷ (AUTHOR) k.chkirate@um5r.ac.ma, Mague, Joel T.⁸ (AUTHOR) joelt@tulane.edu, Kawsar, Sarkar M. A.⁹ (AUTHOR) akawsarabe@yahoo.com, Al Houari, Ghali¹ (AUTHOR) elyazidimohamed@hotmail.com, M. Alanazi, Mohammed¹⁰ (AUTHOR) mmalanazi@ksu.edu.sa, El Yazidi, Mohamed¹ (AUTHOR)

Publikováno v: Molecules. Jul2024, Vol. 29 Issue 14, p3366. 19p.

Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses

Autor: Abdelmoujoud Faris, Ivana Cacciatore, Radwan Alnajjar, Hadni Hanine, Adnane Aouidate, Ramzi A. Mothana, Abdullah R. Alanzi, Menana Elhallaoui

Publikováno v: Frontiers in Molecular Biosciences, Vol 11 (2024)

The heterocycle compounds, with their diverse functionalities, are particularly effective in inhibiting Janus kinases (JAKs). Therefore, it is crucial to identify the correlation between their complex structures and biological activities for the deve

Externí odkaz: https://doaj.org/article/a92838db09a44b7b80f83538be346eba

Design, synthesis, in-vitro and in-silico studies of chromone‐isoxazoline conjugates as anti‐bacterial agents

Autor: Kanzouai, Youssra, Chalkha, Mohammed, Hadni, Hanine, Laghmari, Mustapha, Bouzammit, Rachid, Nakkabi, Asmae, Benali, Taoufiq, Tüzün, Burak, Akhazzane, Mohamed, Yazidi, Mohamed El, Houari, Ghali Al

Publikováno v: In Journal of Molecular Structure 5 December 2023 1293

Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations

Autor: Hadni, Hanine, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed

Publikováno v: In Journal of the Indian Chemical Society October 2022 99(10)

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