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Synthesis, molecular docking, molecular dynamics and ADMET prediction studies of novel (S)-Verbenone-Arylidene -Isoxazoline hybrids

Auteur: Mourad Fawzi, Yassine Laamari, Stève-Jonathan Koyambo-Konzapa, Mohamed Oussama Zouaghi, Ali Oubella, Saad H. Alotaibi, Fawziah M. Alotaibi, Venkatramanan Varadharajan, Moulay Youssef Aititto, Aziz Auhmani

Revue: Journal of Molecular Structure

Année: 2024

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Multitargeted Molecular Docking and Dynamics Simulation Studies of 1,3,4-Thiadiazoles Synthesised from (R)-Carvone against Specific Tumour Protein Markers: An In-silico Study of Two Diastereoisomers

Auteur: Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Yassine Riadi, Aziz Auhmani, Moulay Youssef Ait Itto

Revue: Computational Biology and Chemistry

Année: 2024

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New isoxazoline‐linked 1,3,4‐thiadiazole derivatives: synthesis, antiproliferative activity, molecular docking, molecular dynamics and DFT

Auteur: Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Mohammed H. Geesi, Yassine Riadi, Mohamed Labd Taha, Hamid Morjani, Aziz Auhmani, My Youssef A. Itto

Revue: Journal of Molecular Structure

Année: 2024

Voir les détails →

Computational and experimental characterisation of a new (R)-camphor-Thiazolidinone derivative: A combined approach for structure optimisation and activity prediction

Auteur: Stève-Jonathan Koyambo-Konzapa, Mohammed H. Geesi, Ali Oubella, Mubarak A. Alamri, Mahmoud A.A. Ibrahim, Feride Akman, Mohamed labd Taha, Yassine Riadi, Aziz Auhmani, My Youssef Ait Itto

Revue: Journal of Molecular Liquids

Année: 2024

Voir les détails →

Investigation of kesterite to stannite phase transition and band gap engineering in Cu2Zn1-xCoxSnS4 thin films prepared by sol-gel spin coating

Auteur: Elyazid El Mahboub, Outman El Khouja, Amelia Elena Bocirnea, Sana Zakaria, Aurelian Catalin Galca, Mohammed Mansori, Ahmed El Hichou

Revue: Applied Surface Science

Année: 2024

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Mathematical modeling and optimal control of multi-strain COVID-19 spread in discrete time

Auteur: Ahmed Elqaddaoui, Amine El Bhih, Hassan Laarabi, Abdelhadi Abta, Mostafa Rachik

Revue: Frontiers in Applied Mathematics and Statistics

Année: 2024

Voir les détails →

Synthesis, spectroscopic analysis, molecular docking and DFT study of novel 1,2,3-Triazole derivatives incorporating paramethoxythymol and salicylaldehyde moieties

Auteur: Yassine Riadi, Mohammed H. Geesi, Ali Oubella, My Youssef Ait Itto

Revue: Journal of Molecular Structure

Année: 2024

Voir les détails →

Multitargeted Molecular Docking and Dynamics Simulation Studies of 1,3,4-Thiadiazoles Synthesised from (R)-Carvone against Specific Tumour Protein Markers: An In-silico Study of Two Diastereoisomers

Auteur: Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Yassine Riadi, Aziz Auhmani, Moulay Youssef Ait Itto

Revue: Computational Biology and Chemistry

Année: 2024

Voir les détails →

Computational and experimental characterisation of a new (R)-camphor-Thiazolidinone derivative: A combined approach for structure optimisation and activity prediction

Auteur: Stève-Jonathan Koyambo-Konzapa, Mohammed H. Geesi, Ali Oubella, Mubarak A. Alamri, Mahmoud A.A. Ibrahim, Feride Akman, Mohamed labd Taha, Yassine Riadi, Aziz Auhmani, My Youssef Ait Itto

Revue: Journal of Molecular Liquids

Année: 2024

Voir les détails →

New isoxazoline‐linked 1,3,4‐thiadiazole derivatives: synthesis, antiproliferative activity, molecular docking, molecular dynamics and DFT

Auteur: Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Mohammed H. Geesi, Yassine Riadi, Mohamed Labd Taha, Hamid Morjani, Aziz Auhmani, My Youssef A. Itto

Revue: Journal of Molecular Structure

Année: 2024

Voir les détails →

Synthesis, molecular docking, molecular dynamics and ADMET prediction studies of novel (S)-Verbenone-Arylidene -Isoxazoline hybrids

Auteur: Mourad Fawzi, Yassine Laamari, Stève-Jonathan Koyambo-Konzapa, Mohamed Oussama Zouaghi, Ali Oubella, Saad H. Alotaibi, Fawziah M. Alotaibi, Venkatramanan Varadharajan, Moulay Youssef Aititto, Aziz Auhmani

Revue: Journal of Molecular Structure

Année: 2024

Voir les détails →

Molecular structure, spectroscopic (FT-IR, NMR and UV–Vis), electronic properties, molecular docking, and molecular dynamics studies on novel thiazolidinone derivative: A potent breast cancer drug

Auteur: Stève-Jonathan Koyambo-Konzapa, Ali Oubella, Noureddine Issaoui, George Amolo, Mohamed Labd Taha, Mohammed H. Geesi, Taibah Aldakhil, Yassine Riadi, Aziz Auhmani, My Youssef Ait Itto

Revue: Journal of Molecular Structure

Année: 2024

Voir les détails →
Titre
Auteur
Revue
Année
Base de données d’Indexation

Synthesis, molecular docking, molecular dynamics and ADMET prediction studies of novel (S)-Verbenone-Arylidene -Isoxazoline hybrids

10.1016/j.molstruc.2024.139178

Mourad Fawzi, Yassine Laamari, Stève-Jonathan Koyambo-Konzapa, Mohamed Oussama Zouaghi, Ali Oubella, Saad H. Alotaibi, Fawziah M. Alotaibi, Venkatramanan Varadharajan, Moulay Youssef Aititto, Aziz Auhmani
Journal of Molecular Structure
2024
Web of Science

Multitargeted Molecular Docking and Dynamics Simulation Studies of 1,3,4-Thiadiazoles Synthesised from (R)-Carvone against Specific Tumour Protein Markers: An In-silico Study of Two Diastereoisomers

10.1016/j.compbiolchem.2024.108159

Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Yassine Riadi, Aziz Auhmani, Moulay Youssef Ait Itto
Computational Biology and Chemistry
2024
Web of Science

New isoxazoline‐linked 1,3,4‐thiadiazole derivatives: synthesis, antiproliferative activity, molecular docking, molecular dynamics and DFT

10.1016/j.molstruc.2024.139368

Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Mohammed H. Geesi, Yassine Riadi, Mohamed Labd Taha, Hamid Morjani, Aziz Auhmani, My Youssef A. Itto
Journal of Molecular Structure
2024
Web of Science

Computational and experimental characterisation of a new (R)-camphor-Thiazolidinone derivative: A combined approach for structure optimisation and activity prediction

10.1016/j.molliq.2024.125615

Stève-Jonathan Koyambo-Konzapa, Mohammed H. Geesi, Ali Oubella, Mubarak A. Alamri, Mahmoud A.A. Ibrahim, Feride Akman, Mohamed labd Taha, Yassine Riadi, Aziz Auhmani, My Youssef Ait Itto
Journal of Molecular Liquids
2024
Web of Science

Investigation of kesterite to stannite phase transition and band gap engineering in Cu2Zn1-xCoxSnS4 thin films prepared by sol-gel spin coating

https://doi.org/10.1016/j.apsusc.2024.160848

Elyazid El Mahboub, Outman El Khouja, Amelia Elena Bocirnea, Sana Zakaria, Aurelian Catalin Galca, Mohammed Mansori, Ahmed El Hichou
Applied Surface Science
2024
Web of Science

Mathematical modeling and optimal control of multi-strain COVID-19 spread in discrete time

10.3389/fams.2024.1392628

Ahmed Elqaddaoui, Amine El Bhih, Hassan Laarabi, Abdelhadi Abta, Mostafa Rachik
Frontiers in Applied Mathematics and Statistics
2024
Web of Science

Synthesis, spectroscopic analysis, molecular docking and DFT study of novel 1,2,3-Triazole derivatives incorporating paramethoxythymol and salicylaldehyde moieties

10.1016/j.molstruc.2024.139251

Yassine Riadi, Mohammed H. Geesi, Ali Oubella, My Youssef Ait Itto
Journal of Molecular Structure
2024
Web of Science

Multitargeted Molecular Docking and Dynamics Simulation Studies of 1,3,4-Thiadiazoles Synthesised from (R)-Carvone against Specific Tumour Protein Markers: An In-silico Study of Two Diastereoisomers

10.1016/j.compbiolchem.2024.108159

Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Yassine Riadi, Aziz Auhmani, Moulay Youssef Ait Itto
Computational Biology and Chemistry
2024
Web of Science

Computational and experimental characterisation of a new (R)-camphor-Thiazolidinone derivative: A combined approach for structure optimisation and activity prediction

10.1016/j.molliq.2024.125615

Stève-Jonathan Koyambo-Konzapa, Mohammed H. Geesi, Ali Oubella, Mubarak A. Alamri, Mahmoud A.A. Ibrahim, Feride Akman, Mohamed labd Taha, Yassine Riadi, Aziz Auhmani, My Youssef Ait Itto
Journal of Molecular Liquids
2024
Web of Science

New isoxazoline‐linked 1,3,4‐thiadiazole derivatives: synthesis, antiproliferative activity, molecular docking, molecular dynamics and DFT

10.1016/j.molstruc.2024.139368

Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Mohammed H. Geesi, Yassine Riadi, Mohamed Labd Taha, Hamid Morjani, Aziz Auhmani, My Youssef A. Itto
Journal of Molecular Structure
2024
Web of Science

Synthesis, molecular docking, molecular dynamics and ADMET prediction studies of novel (S)-Verbenone-Arylidene -Isoxazoline hybrids

10.1016/j.molstruc.2024.139178

Mourad Fawzi, Yassine Laamari, Stève-Jonathan Koyambo-Konzapa, Mohamed Oussama Zouaghi, Ali Oubella, Saad H. Alotaibi, Fawziah M. Alotaibi, Venkatramanan Varadharajan, Moulay Youssef Aititto, Aziz Auhmani
Journal of Molecular Structure
2024
Web of Science

Molecular structure, spectroscopic (FT-IR, NMR and UV–Vis), electronic properties, molecular docking, and molecular dynamics studies on novel thiazolidinone derivative: A potent breast cancer drug

10.1016/j.molstruc.2024.139301

Stève-Jonathan Koyambo-Konzapa, Ali Oubella, Noureddine Issaoui, George Amolo, Mohamed Labd Taha, Mohammed H. Geesi, Taibah Aldakhil, Yassine Riadi, Aziz Auhmani, My Youssef Ait Itto
Journal of Molecular Structure
2024
Web of Science
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