ADMET profiling and molecular docking of pyrazole and pyrazolines derivatives as antimicrobial agents
EN-NAHLI, Fatima, HAJJI, Halima, OUABANE, Mohamed, Aziz AJANA, Mohammed, SEKATTE, Chakib, LAKHLIFI, Tahar, BOUACHRINE, Mohammed
Published in Arabian journal of chemistry (01.11.2023)
Published in Arabian journal of chemistry (01.11.2023)
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Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studies
Khaldan, Ayoub, Bouamrane, Soukaina, El-mernissi, Reda, Ouabane, Mohamed, Alaqarbeh, Marwa, Maghat, Hamid, Aziz Ajana, Mohammed, Sekkat, Chakib, Bouachrine, Mohammed, Lakhlifi, Tahar, Sbai, Abdelouahid
Published in Arabian journal of chemistry (01.03.2024)
Published in Arabian journal of chemistry (01.03.2024)
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Structure-odor relationship in pyrazines and derivatives: A physicochemical study using 3D-QSPR, HQSPR, Monte Carlo, molecular docking, ADME-Tox and molecular dynamics
OUABANE, Mohamed, TABTI, Kamal, HAJJI, Halima, ELBOUHI, Mhamed, KHALDAN, Ayoub, ELKAMEL, Khalid, SBAI, Abdelouahid, Aziz AJANA, Mohammed, SEKKATE, Chakib, BOUACHRINE, Mohammed, LAKHLIFI, Tahar
Published in Arabian journal of chemistry (01.11.2023)
Published in Arabian journal of chemistry (01.11.2023)
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Chemical reactivity and regioselectivity investigation for the formation of 3,5-disubstituted isoxazole via cycloaddition [2 + 3] and antitrypanosomal activity prediction
Abdessadak, Oumayma, Ouabane, Mohamed, Aziz Ajana, Mohammed, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Computational and theoretical chemistry (01.03.2024)
Published in Computational and theoretical chemistry (01.03.2024)
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From farm to pharma: Investigation of the therapeutic potential of the dietary plants Apium graveolens L., Coriandrum sativum, and Mentha longifolia, as AhR modulators for Immunotherapy
Zaki, Khadija, Ouabane, Mohamed, Guendouzi, Abdelkrim, Sbai, Abdelouahid, Sekkate, Chakib, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in Computers in biology and medicine (01.10.2024)
Published in Computers in biology and medicine (01.10.2024)
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Molecular toxicity of nitrobenzene derivatives to tetrahymena pyriformis based on SMILES descriptors using Monte Carlo, docking, and MD simulations
Ouabane, Mohamed, Zaki, Khadija, Tabti, Kamal, Alaqarbeh, Marwa, Sbai, Abdelouahid, Sekkate, Chakib, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in Computers in biology and medicine (01.02.2024)
Published in Computers in biology and medicine (01.02.2024)
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In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics
Belghalia, Etibaria, Ouabane, Mohamed, El Bahi, Salma, Rehman, Hafiz Muzzammel, Sbai, Abdelouahid, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Journal of biomolecular structure & dynamics (01.09.2023)
Published in Journal of biomolecular structure & dynamics (01.09.2023)
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Computational Prediction of 3,5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by 3D-QSAR, molecular docking, molecular dynamics simulation, and ADME-Tox
El Alaouy, Moulay Ahfid, Alaqarbeh, Marwa, Ouabane, Mohamed, Zaki, Hanane, ElBouhi, Mohamed, Badaoui, Hassan, Moukhliss, Youness, Sbai, Abdelouahid, Maghat, Hamid, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Journal of biomolecular structure & dynamics (01.09.2023)
Published in Journal of biomolecular structure & dynamics (01.09.2023)
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Computational evaluation of 1,2,3-triazole-based VEGFR-2 inhibitors: anti-angiogenesis potential and pharmacokinetic assessment
Elbouhi, Mhamed, Ouabane, Mohamed, Tabti, Kamal, Badaoui, Hassan, Abdessadak, Oumayma, El Alaouy, Moulay Ahfid, Elkamel, Khalid, Lakhlifi, Tahar, Sbai, Abdelouahid, Ajana, Mohammed Aziz, Bouachrine, Mohammed
Published in Journal of biomolecular structure & dynamics (09.01.2024)
Published in Journal of biomolecular structure & dynamics (09.01.2024)
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