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收藏Targeting Fructosamine Oxidase (Amadoriase II) in Aspergillus fumigatus: Comprehensive Virtual Screening, ADMET Analysis, and Molecular Dynamics Simulation of Triazole Derivatives
Yamari, Imane; Abchir, Oussama; Khedraoui, Meriem; Errougui, Abdelkbir; Talbi, Mohammed; Samadi, Abdelouahid; El Kouali, Mhammed; Chtita, Samir
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收藏Contilisant plus Tubastatin A Hybrids: Polyfunctionalized Indole Derivatives as New HDAC Inhibitor-Based Multitarget Small Molecules with In Vitro and In Vivo Activity in Neurodegenerative Diseases
Toledano-Pinedo, Mireia; Porro-Perez, Alicia; Schaeker-Huebner, Linda; Romero, Fernando; Dong, Min; Samadi, Abdelouahid; Almendros, Pedro; Iriepa, Isabel; Bautista-Aguilera, Oscar M.; Rodriguez-Fernandez, M. Mercedes; Solana-Manrique, Cristina; Sanchis, Inmaculada; Mora-Morell, Alba; Rodriguez, Ania Canseco; Sanchez-Perez, Ana M.; Knez, Damijan; Gobec, Stanislav; Bellver-Sanchis, Aina; Perez, Belen; Dobrydnev, Alexey V.; Artetxe-Zurutuza, Aizpea; Matheu, Ander; Siwek, Agata; Wolak, Malgorzata; Satala, Grzegorz; Bojarski, Andrzej J.; Doroz-Plonka, Agata; Handzlik, Jadwiga; Godyn, Justyna; Wieckowska, Anna; Paricio, Nuria; Grinan-Ferre, Christian; Hansen, Finn K.; Marco-Contelles, Jose
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收藏Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections
Yamari, Imane; Abchir, Oussama; Nour, Hassan; Khedraoui, Meriem; Rossafi, Bouchra; Errougui, Abdelkbir; Talbi, Mohammed; Samadi, Abdelouahid; El Kouali, MHammed; Chtita, Samir
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收藏Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations通过虚拟筛选,分子对接,动态模拟和分子力学-poisson-boltzmann表面积计算鉴定有效的乙酰胆碱酯酶抑制剂作为阿尔茨海默病的新候选者
Chennai, Hind Yassmine; Belaidi, Salah; Bourougaa, Lotfi; Ouassaf, Mebarka; Sinha, Leena; Samadi, Abdelouahid; Chtita, Samir
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收藏Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations
Abchir, Oussama; Khedraoui, Meriem; Nour, Hassan; Yamari, Imane; Errougui, Abdelkbir; Samadi, Abdelouahid; Chtita, Samir
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收藏Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations
Derki, Nour-El Houda; Kerassa, Aicha; Belaidi, Salah; Derki, Maroua; Yamari, Imane; Samadi, Abdelouahid; Chtita, Samir
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收藏First Exclusive Stereo- and Regioselective Preparation of 5-Arylimino-1,3,4-Selenadiazole Derivatives: Synthesis, NMR analysis, and Computational Studies
Moussa, Ziad; Paz, Alejandro Perez; Khalaf, Mohamed A.; Judeh, Zaher M. A.; Alzamly, Ahmed; Samadi, Abdelouahid; Al-Fahemi, Jabir H.; Tatina, Madhu Babu; Al-Masri, Harbi Tomah; Jassas, Rabab S.; Ahmed, Saleh A.
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收藏QuinoxalineTacrine QT78, a Cholinesterase Inhibitor as a Potential Ligand for Alzheimer's Disease Therapy
Ramos, Eva; Palomino-Antolin, Alejandra; Bartolini, Manuela; Iriepa, Isabel; Moraleda, Ignacio; Diez-Iriepa, Daniel; Samadi, Abdelouahid; Cortina, Carol V.; Chioua, Mourad; Egea, Javier; Romero, Alejandro; Marco-Contelles, Jose
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