A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development

by Amneh Shtaiwi, Shafi Ullah Khan, Meriem Khedraoui, Mohd Alaraj, Abdelouahid Samadi, Samir Chtita
Published 2024-03-01

Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations

by Oussama Abchir, Meriem Khedraoui, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
Published 2024-02-01

Synthesis of new 7-azabicyclo[2.2.1]heptane derivatives

by José Marco-Contelles, Elena Soriano, Elena Gómez-Sánchez, Carolina Valderas, Mónica Álvarez-Pérez, Abdelouahid Samadi
Published 2009-04-01

Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechani...

by Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, Mebarka Ouassaf, Leena Sinha, Abdelouahid Samadi, Samir Chtita
Published 2024-03-01

Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study

by H. M. Abd El-Salam, Ali M. El Shafey, Abdelouahid Samadi, Mahmoud K. Abdel-Latif
Published 2023-09-01

Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PAS...

by Nour-El Houda Derki, Aicha Kerassa, Salah Belaidi, Maroua Derki, Imane Yamari, Abdelouahid Samadi, Samir Chtita
Published 2024-02-01

Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach

by Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Kaouakeb Elkhattabi, Abdelmoula Elabbouchi, Samir Chtita, Abdelouahid Samadi, Souad Elkhattabi
Published 2024-01-01

An antibacterial lead identification of novel 1,3,4-oxadiazole derivatives based on molecular computer aided design approaches

by Marwa Manachou, Ossama Daoui, Oussama Abchir, Rahma Dahmani, Souad Elkhattabi, Abdelouahid Samadi, Salah Belaidi, Samir Chtita
Published 2024-03-01

Combined 3D-QSAR, molecular docking, ADMET, and drug-likeness scoring of novel diaminodihydrotriazines as potential antimalarial agents

by Nedjla Khelfa, Salah Belaidi, Oussama Abchir, Imane Yamari, Samir Chtita, Abdelouahid Samadi, Muneerah Mogren Al-Mogren, Majdi Hochlaf
Published 2024-06-01

Identification of a Tool Compound to Study the Mechanisms of Functional Selectivity between D2 and D3 Dopamine Receptors

by Irene Reyes-Resina, Abdelouahid Samadi, Gemma Navarro, Haythem A. Saadeh, Mohammad A. Khasawneh, Jordi Mestres, José Marco-Contelles, Rafael Franco
Published 2018-12-01

Synthesis and biological applications of some novel 8-Hydroxyquinoline urea and thiourea derivatives

by Mohammad A. Khasawneh, Ayesha AlKaabi, Abdelouahid Samadi, Priya Antony, Ranjit Vijayan, Lamya Ahmed Al-Keridis, Haythem A. Saadeh, Nael Abutaha
Published 2022-07-01

QuinoxalineTacrine QT78, a Cholinesterase Inhibitor as a Potential Ligand for Alzheimer’s Disease Therapy

by Eva Ramos, Alejandra Palomino-Antolín, Manuela Bartolini, Isabel Iriepa, Ignacio Moraleda, Daniel Diez-Iriepa, Abdelouahid Samadi, Carol V. Cortina, Mourad Chioua, Javier Egea, Alejandro Romero, José Marco-Contelles
Published 2019-04-01