Samir Chtita

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 45

Top Venues

Journal of biomolecular structure & dynamics

Molecules (Basel, Switzerland)

Pharmaceuticals (Basel, Switzerland)

ACS omega

Université Hassan II Casablanca Faculté des Sciences Ben M'Sik

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Université Hassan II Casablanca Faculté des Sciences Ben M'Sik May 02 2018

Morocco

PESA :: CHIMIE

Publications

Imane Yamari, Oussama Abchir, Meriem Khedraoui, Abdelkbir Errougui, Mohammed Talbi, Abdelouahid Samadi, MHammed El Kouali, Samir Chtita
Targeting Fructosamine Oxidase (Amadoriase II) in Aspergillus fumigatus: Comprehensive Virtual Screening, ADMET Analysis, and Molecular Dynamics Simulation of Triazole Derivatives. Current medicinal chemistry (2024)
Nour-El Houda Derki, Aicha Kerassa, Salah Belaidi, Maroua Derki, Imane Yamari, Abdelouahid Samadi, Samir Chtita
Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations. Molecules (Basel, Switzerland) 29 (4) (2024)
Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, Mebarka Ouassaf, Leena Sinha, Abdelouahid Samadi, Samir Chtita
Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations. Molecules (Basel, Switzerland) 29 (6) (2024)
Nour-El Houda Derki, Aicha Kerassa, Salah Belaidi, Maroua Derki, Imane Yamari, Abdelouahid Samadi, Samir Chtita
Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations. Molecules (Basel, Switzerland) 29 (4) (2024)
Oussama Abchir, Meriem Khedraoui, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations. Pharmaceuticals (Basel, Switzerland) 17 (2) (2024)
Imane Yamari, Oussama Abchir, Hassan Nour, Meriem Khedraoui, Bouchra Rossafi, Abdelkbir Errougui, Mohammed Talbi, Abdelouahid Samadi, MHammed El Kouali, Samir Chtita
Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections. Pharmaceuticals (Basel, Switzerland) 17 (7) (2024)
Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, Mebarka Ouassaf, Leena Sinha, Abdelouahid Samadi, Samir Chtita
Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations. Molecules (Basel, Switzerland) 29 (6) (2024)
Imane Yamari, Oussama Abchir, Hassan Nour, Meriem Khedraoui, Bouchra Rossafi, Abdelkbir Errougui, Mohammed Talbi, Abdelouahid Samadi, MHammed El Kouali, Samir Chtita
Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections. Pharmaceuticals (Basel, Switzerland) 17 (7) (2024)
Amneh Shtaiwi, Shafi Ullah Khan, Meriem Khedraoui, Mohd Alaraj, Abdelouahid Samadi, Samir Chtita
A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development. Scientific reports 14 (1) (2024)
Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Kaouakeb Elkhattabi, Abdelmoula El Abbouchi, Samir Chtita, Abdelouahid Samadi, Souad Elkhattabi
Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach. Molecules (Basel, Switzerland) 29 (2) (2024)
Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, Mebarka Ouassaf, Leena Sinha, Abdelouahid Samadi, Samir Chtita
Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations. Molecules (Basel, Switzerland) 29 (6) (2024)
Meriem Khedraoui, Oussama Abchir, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE. Pharmaceuticals (Basel, Switzerland) 17 (7) (2024)
Bouchra Rossafi, Oussama Abchir, Mhammed El Kouali, Samir Chtita
Advancements in Computational Approaches for Antidiabetic Drug Discovery: A Review. Current topics in medicinal chemistry (2024)
Nour-El Houda Derki, Aicha Kerassa, Salah Belaidi, Maroua Derki, Imane Yamari, Abdelouahid Samadi, Samir Chtita
Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations. Molecules (Basel, Switzerland) 29 (4) (2024)
Oussama Abchir, Meriem Khedraoui, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations. Pharmaceuticals (Basel, Switzerland) 17 (2) (2024)
Amneh Shtaiwi, Shafi Ullah Khan, Meriem Khedraoui, Mohd Alaraj, Abdelouahid Samadi, Samir Chtita
A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development. Scientific reports 14 (1) (2024)
Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Kaouakeb Elkhattabi, Abdelmoula El Abbouchi, Samir Chtita, Abdelouahid Samadi, Souad Elkhattabi
Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach. Molecules (Basel, Switzerland) 29 (2) (2024)
Oussama Abchir, Meriem Khedraoui, Imane Yamari, Hassan Nour, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives. PloS one 19 (9) (2024)
Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Kaouakeb Elkhattabi, Abdelmoula El Abbouchi, Samir Chtita, Abdelouahid Samadi, Souad Elkhattabi
Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach. Molecules (Basel, Switzerland) 29 (2) (2024)
Rachid Haloui, Khaoula Mkhayar, Ossama Daoui, Kaouakeb El Khattabi, Abdelmoula El Abbouchi, Samir Chtita, Souad Elkhattabi
Design of new small molecules derived from indolin-2-one as potent TRKs inhibitors using a computer-aided drug design approach. Journal of biomolecular structure & dynamics (2024)
Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Kaouakeb Elkhattabi, Abdelmoula El Abbouchi, Samir Chtita, Abdelouahid Samadi, Souad Elkhattabi
Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach. Molecules (Basel, Switzerland) 29 (2) (2024)
Amneh Shtaiwi, Shafi Ullah Khan, Meriem Khedraoui, Mohd Alaraj, Abdelouahid Samadi, Samir Chtita
A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development. Scientific reports 14 (1) (2024)
Meriem Khedraoui, Oussama Abchir, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE. Pharmaceuticals (Basel, Switzerland) 17 (7) (2024)
Oussama Abchir, Imane Yamari, Amneh Mohammad Shtaiwi, Hassan Nour, Mhammed El Kouali, Mohammed Talbi, Abdelkbir Errougui, Samir Chtita
Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study. Journal of biomolecular structure & dynamics (2024)
Imane Yamari, Oussama Abchir, Hassan Nour, Meriem Khedraoui, Bouchra Rossafi, Abdelkbir Errougui, Mohammed Talbi, Abdelouahid Samadi, MHammed El Kouali, Samir Chtita
Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections. Pharmaceuticals (Basel, Switzerland) 17 (7) (2024)
Meriem Khedraoui, Oussama Abchir, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE. Pharmaceuticals (Basel, Switzerland) 17 (7) (2024)
Ahmed Said Mohamed, Abdirahman Elmi, Rosella Spina, Maha A Y Kordofani, Dominique Laurain-Mattar, Hassan Nour, Oussama Abchir, Samir Chtita
In vitro and in silico analysis for elucidation of antioxidant potential of Djiboutian Avicennia Marina (Forsk.) Vierh. phytochemicals. Journal of biomolecular structure & dynamics (2023)
Youssra Kanzouai, Mustapha Laghmari, Imane Yamari, Rachid Bouzammit, Lahoucine Bahsis, Taoufiq Benali, Samir Chtita, Mohamed Bakhouch, Mohamed Akhazzane, M'hammed El Kouali, Khalil Hammani, Ghali Al Houari
Chromone-isoxazole hybrids molecules: synthesis, spectroscopic, MEDT, ELF, antibacterial, ADME-Tox, molecular docking and MD simulation investigations. Journal of biomolecular structure & dynamics (2023)
Narimene Chahbaoui, Saida Khamouli, Marwa Alaqarbeh, Salah Belaidi, Leena Sinha, Samir Chtita, Mohammed Bouachrine
Identification of novel curcumin derivatives against pancreatic cancer: a comprehensive approach integrating 3D-QSAR pharmacophore modeling, virtual screening, and molecular dynamics simulations. Journal of biomolecular structure & dynamics (2023)
Mohammed A Hosen, Faizan Abul Qais, Samir Chtita, Ibrahim A Rahman, Ahmed M Almehdi, Ferdausi Ali, Faisal A Almalki, Taibi Ben Hadda, Hamid Laaroussi, Sarkar Mohammad Abe Kawsar
In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling. Nucleosides, nucleotides & nucleic acids (2023)
Ossama Daoui, Souad Elkhattabi, Mohamed Bakhouch, Salah Belaidi, Richie R Bhandare, Afzal Basha Shaik, Suraj Narayan Mali, Samir Chtita
Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach. ACS omega 8 (4) (2023)
Ossama Daoui, Souad Elkhattabi, Mohamed Bakhouch, Salah Belaidi, Richie R Bhandare, Afzal Basha Shaik, Suraj Narayan Mali, Samir Chtita
Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach. ACS omega 8 (4) (2023)
Mohammed Chalkha, Hassan Nour, Khalid Chebbac, Asmae Nakkabi, Lahoucine Bahsis, Mohamed Bakhouch, Mohamed Akhazzane, Mohamed Bourass, Samir Chtita, Yousef A Bin Jardan, Maria Augustyniak, Mohammed Bourhia, Mourad A M Aboul-Soud, Mohamed El Yazidi
Synthesis, Characterization, DFT Mechanistic Study, Antimicrobial Activity, Molecular Modeling, and ADMET Properties of Novel Pyrazole-isoxazoline Hybrids. ACS omega 7 (50) (2022)
Samir Chtita, Romuald Tematio Fouedjou, Salah Belaidi, Loris Alvine Djoumbissie, Mebarka Ouassaf, Faizan Abul Qais, Mohamed Bakhouch, Mohammed Efendi, Tugba Taskin Tok, Mohammed Bouachrine, Tahar Lakhlifi
In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment. Structural chemistry 33 (5) (2022)
Ossama Daoui, Souad Elkhattabi, Samir Chtita
Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CL pro enzyme for COVID-19 therapy: a computer-aided drug design approach. Structural chemistry 33 (5) (2022)
Syeda Abida Ejaz, Syeda Abida Ejaz, Muhammad Sarfraz, Nissren Tamam, Farhan Siddique, Naheed Riaz, Faizan Abul Qais, Samir Chtita, Jamshed Iqbal
Discovery of Phenylcarbamoylazinane-1,2,4-Triazole Amides Derivatives as the Potential Inhibitors of Aldo-Keto Reductases (AKR1B1 & AKRB10): Potential Lead Molecules for Treatment of Colon Cancer. Molecules (Basel, Switzerland) 27 (13) (2022)
Ossama Daoui, Noureddine Mazoir, Mohamed Bakhouch, Mohammed Salah, Ahmed Benharref, Azucena Gonzalez-Coloma, Souad Elkhattabi, Mohamed El Yazidi, Samir Chtita
3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents. Structural chemistry 33 (4) (2022)
Ossama Daoui, Hassan Nour, Oussama Abchir, Souad Elkhattabi, Mohamed Bakhouch, Samir Chtita
A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations. Journal of biomolecular structure & dynamics (2022)
Mebarka Ouassaf, Ossama Daoui, Sarfaraz Alam, Souad Elkhattabi, Salah Belaidi, Samir Chtita
Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors. Journal of biomolecular structure & dynamics (2022)
Oussama Abchir, Ossama Daoui, Salah Belaidi, Mebarka Ouassaf, Faizan Abul Qais, Souad ElKhattabi, Said Belaaouad, Samir Chtita
Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies. Journal of molecular modeling 28 (4) (2022)
Mohammed Chalkha, Hassan Nour, Khalid Chebbac, Asmae Nakkabi, Lahoucine Bahsis, Mohamed Bakhouch, Mohamed Akhazzane, Mohamed Bourass, Samir Chtita, Yousef A Bin Jardan, Maria Augustyniak, Mohammed Bourhia, Mourad A M Aboul-Soud, Mohamed El Yazidi
Synthesis, Characterization, DFT Mechanistic Study, Antimicrobial Activity, Molecular Modeling, and ADMET Properties of Novel Pyrazole-isoxazoline Hybrids. ACS omega 7 (50) (2022)
Mohammed Hadi Ali Al-Jumaili, Farhan Siddique, Faizan Abul Qais, Heba E Hashem, Samir Chtita, Abida Rani, Muhammad Uzair, Kahtan A Almzaien
Analysis and prediction pathways of natural products and their cytotoxicity against HeLa cell line protein using docking, molecular dynamics and ADMET. Journal of biomolecular structure & dynamics (2021)
Mebarka Ouassaf, Salah Belaidi, Samir Chtita, Touhami Lanez, Faizan Abul Qais, Md Amiruddin Hashmi
Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease. Journal of biomolecular structure & dynamics (2021)
Romuald Tematio Fouedjou, Samir Chtita, Mohamed Bakhouch, Salah Belaidi, Mebarka Ouassaf, Loris Alvine Djoumbissie, Léon Azefack Tapondjou, Faizan Abul Qais
Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors. Journal of biomolecular structure & dynamics (2021)
Saida Khamouli, Salah Belaidi, Mebarka Ouassaf, Touhami Lanez, Said Belaaouad, Samir Chtita
Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors. Journal of biomolecular structure & dynamics (2020)

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Publication Activity (10 Years)

Top Topics

Top Venues

Samir Chtita