Design of a new potent Alzheimer's disease inhibitor based on QSAR, molecular docking and molecular dynamics investigations by Meriem Khedraoui, Hassan Nour, Imane Yamari, Oussama Abchir, Abdelkbir Errougui, Samir Chtita

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An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE by Meriem Khedraoui, Oussama Abchir, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita

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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

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Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives. by Oussama Abchir, Meriem Khedraoui, Imane Yamari, Hassan Nour, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita

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Potential Azo-8-hydroxyquinoline derivatives as multi-target lead candidates for Alzheimer's disease: An in-depth in silico study of monoamine oxidase and cholinesterase inhibitors... by Fatima Zahra Guerguer, Bouchra Rossafi, Oussama Abchir, Yasir S Raouf, Dhabya Bakhit Albalushi, Abdelouahid Samadi, Samir Chtita

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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

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Exploring Moroccan Medicinal Plants for Anticancer Therapy Development Through In Silico Studies by Amal Bouribab, El Mehdi Karim, Meriem Khedraoui, Oussama Abchir, Abdelkbir Errougui, Yasir S. Raouf, Abdelouahid Samadi, Samir Chtita

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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

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The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular dynamics simulations by Imane Yamari, Oussama Abchir, Farhan Siddique, Hanane Zaki, Abdelkbir Errougui, Mohammed Talbi, Mohammed Bouachrine, M'hammed ElKouali, Samir Chtita

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ANN-QSAR, Molecular Docking, ADMET Predictions, and Molecular Dynamics Studies of Isothiazole Derivatives to Design New and Selective Inhibitors of HCV Polymerase NS5B by Maroua Fattouche, Salah Belaidi, Oussama Abchir, Walid Al-Shaar, Khaled Younes, Muneerah Mogren Al-Mogren, Samir Chtita, Fatima Soualmia, Majdi Hochlaf

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Unveiling Moroccan Nature’s Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal I... by Imane Yamari, Oussama Abchir, Hassan Nour, Meriem Khedraoui, Bouchra Rossafi, Abdelkbir Errougui, Mohammed Talbi, Abdelouahid Samadi, MHammed El Kouali, Samir Chtita

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In Silico Design of Novel Piperazine-Based mTORC1 Inhibitors Through DFT, QSAR and ADME Investigations by El Mehdi Karim, Oussama Abchir, Hassan Nour, Ossama Daoui, Souad El Khattabi, Farhan Siddique, M’Hammed El Kouali, Mohammed Talbi, Abdelkbir Errougui, Samir Chtita

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Phytochemical analysis, antimicrobial and antioxidant activities of essential oils of the species Artemisia mesatlantica maire: in vitro and in silico approaches by Khalid Chebbac, Oussama Abchir, Mohammed Chalkha, Abdelfattah El Moussaoui, Azeddin El Barnossi, Soufyane Lafraxo, Samir Chtita, Ahmad Mohammad Salamatullah, Mohammed Bourhia, Musaab Dauelbait, Samir Ibenmoussa, Zineb Benziane Ouaritini, Raja Guemmouh

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Computer-guided identification of novel inhibitors of apoptosis-signaling kinase 1 from Spondia mombim bioactive compounds against colorectal cancer by Olusola Olalekan Elekofehinti, Hannah Oluwaseun Popoola, Adedotun Olayemi Oluwatuyi, Opeyemi Iwaloye, Moses Orimoloye Akinjiyan, Oluwamodupe Cecilia, Frank Abimbola Ogundolie, Olalekan Isaac Olatunde, Oussama Abchir, Samir Chtita, Joao Batista Texeira Rocha

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