3D-QSAR and Molecular Docking Studies of p-Aminobenzoic Acid Derivatives to Explore the Features Requirements of Alzheimer Inhibitors
Khatabi, Khalil El, Aanouz, Ilham, mernissi, Reda El, Khaldan, Ayoub, Ajana, Mohammed Aziz, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in Orbital : The Electronic Journal of Chemistry (01.10.2020)
Published in Orbital : The Electronic Journal of Chemistry (01.10.2020)
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Journal Article
3D-QSAR, ADMET and Docking Studies for Design New 5,5-Diphenylimidazolidine-2,4-dione Derivatives Agents Against Cervical Cancer
Mernissi, Reda EL, Khatabi, Khalil EL, Khaldan, Ayoub, Bouamrane, Soukaina, ElMchichi, Larbi, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Orbital : The Electronic Journal of Chemistry (01.01.2022)
Published in Orbital : The Electronic Journal of Chemistry (01.01.2022)
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Journal Article
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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Journal Article
Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties
Khaldan, Ayoub, Bouamrane, Soukaina, En-Nahli, Fatima, El-mernissi, Reda, El khatabi, Khalil, Hmamouchi, Rachid, Maghat, Hamid, Ajana, Mohammed Aziz, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in Heliyon (01.03.2021)
Published in Heliyon (01.03.2021)
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Journal Article
3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity
El-Mernissi, Reda, Khaldan, Ayoub, Bouamrane, Soukaina, Rehman, Hafiz Muzzammel, Alaqarbeh, Marwa, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Journal of biomolecular structure & dynamics (02.05.2024)
Published in Journal of biomolecular structure & dynamics (02.05.2024)
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Journal Article
Novel Eubacterium rectale inhibitor from Coriandrum sativum L. for possible prevention of colorectal cancer: a computational approach
El Khatabi, Khalil, Kumar, Shashank, El-Mernissi, Reda, Singh, Atul Kumar, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Journal of biomolecular structure & dynamics (22.11.2023)
Published in Journal of biomolecular structure & dynamics (22.11.2023)
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Journal Article
In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling
Bouamrane, Soukaina, Khaldan, Ayoub, Hajji, Halima, El-mernissi, Reda, Alaqarbeh, Marwa, Alsakhen, Nada, Maghat, Hamid, Ajana, Mohammed Aziz, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in Molecular diversity (01.10.2023)
Published in Molecular diversity (01.10.2023)
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Journal Article
3D-QSAR, molecular docking, ADMET, simulation dynamic, and retrosynthesis studies on new styrylquinolines derivatives against breast cancer
EL-Mernissi, Reda, Alaqarbeh, Marwa, Khaldan, Ayoub, Kara, Mohammed, Al kamaly, Omkulthom, Alnakhli, Anwar M., Lakhlifi, Tahar, Sbai, Abdelouahid, Ajana, Mohammed Aziz, Bouachrine, Mohammed
Published in Open Chemistry (24.06.2024)
Published in Open Chemistry (24.06.2024)
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Journal Article
Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors
Khaldan, Ayoub, Bouamrane, Soukaina, El-mernissi, Reda, Alaqarbeh, Marwa, Hajji, Halima, Alsakhen, Nada, Maghat, Hamid, Ajana, Mohammed Aziz, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in New journal of chemistry (20.09.2022)
Published in New journal of chemistry (20.09.2022)
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Journal Article
Identification of novel acetylcholinesterase inhibitors through 3D-QSAR, molecular docking, and molecular dynamics simulation targeting Alzheimer’s disease
El Khatabi, Khalil, El-Mernissi, Reda, Aanouz, Ilham, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Khan, Abbas, Wei, Dong-Qing, Bouachrine, Mohammed
Published in Journal of molecular modeling (01.10.2021)
Published in Journal of molecular modeling (01.10.2021)
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Journal Article
2-Oxoquinoline Arylaminothiazole Derivatives in Identifying Novel Potential Anticancer Agents by Applying 3D-QSAR, Docking, and Molecular Dynamics Simulation Studies
El-Mernissi, Reda, El Khatabi, Khalil, Khaldan, Ayoub, ElMchichi, Larbi, Shahinozzaman, Md, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed
Published in Journal of the Mexican Chemical Society (31.12.2022)
Published in Journal of the Mexican Chemical Society (31.12.2022)
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Journal Article
Integrated 3D-QSAR, molecular docking, and molecular dynamics simulation studies on 1,2,3-triazole based derivatives for designing new acetylcholinesterase inhibitors
El Khatabi, Khalil, Aanouz, Ilham, El-Mernissi, Reda, Singh, Atul Kumar, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Kumar, Shashank, Bouachrine, Mohammed
Published in Turkish journal of chemistry (01.01.2021)
Published in Turkish journal of chemistry (01.01.2021)
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Journal Article
Designing of Novel Quinolines Derivatives as Hepatocellular Carcinoma Inhibitors by Using In silico Approaches
Published in Biointerface Research in Applied Chemistry
(15.06.2023)
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Journal Article
Rational design of novel potential EGFR inhibitors by 3D-QSAR, molecular docking, molecular dynamics simulation, and pharmacokinetics studies
Khatabi, Khalil El, El-mernissi, Reda, Moukhliss, Youness, Hajji, Halima, Rehman, Hafiz Muzzammel, Yadav, Rohitash, Lakhlifi, Tahar, Ajana, Mohammed Aziz, Bouachrine, Mohammed
Published in Chemical Data Collections (01.06.2022)
Published in Chemical Data Collections (01.06.2022)
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Journal Article
QSAR Study of α-Glucosidase Inhibitors for Benzimidazole Bearing Bis-Schiff Bases Using CoMFA, CoMSIA, and Molecular Docking
Aanouz, Ilham, El Khatabi, Khalil, Lakhlifi, Tahar, Bouachrine, Mohammed, Khaldan, Ayoub, Bouamrane, Soukaina, El-Mernissi, Reda, Aggoram, Abderrahmane, Sbai, Abdelouahid
Published in International journal of quantitative structure-property relationships (01.01.2021)
Published in International journal of quantitative structure-property relationships (01.01.2021)
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Journal Article
QSAR Study of α-Glucosidase Inhibitors for Benzimidazole Bearing Bis-Schiff Bases Using CoMFA, CoMSIA, and Molecular Docking
Khaldan, Ayoub, Bouamrane, Soukaina, El-Mernissi, Reda, El Khatabi, Khalil, Aanouz, Ilham, Aggoram, Abderrahmane, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in International journal of quantitative structure-property relationships (01.01.2021)
Published in International journal of quantitative structure-property relationships (01.01.2021)
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Journal Article
3D-QSAR modeling, molecular docking and ADMET properties of benzothiazole derivatives as α-glucosidase inhibitors
Khaldan, Ayoub, Bouamrane, Soukaina, El-mernissi, Reda, Maghat, Hamid, Ajana, Mohammed Aziz, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Published in Materials today : proceedings (2021)
Published in Materials today : proceedings (2021)
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Journal Article
3D-QSAR and Molecular Docking Studies of p-Aminobenzoic Acid Derivatives to Explore the Features Requirements of Alzheimer Inhibitors
Khalil El Khatabi, Ilham Aanouz, Reda El-mernissi, Ayoub Khaldan, Mohammed Aziz Ajana, Mohammed Bouachrine, Tahar Lakhlifi
Published in Orbital : The Electronic Journal of Chemistry (01.12.2020)
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Published in Orbital : The Electronic Journal of Chemistry (01.12.2020)
Journal Article