Works by Chtita, Samir

Results: 89

Computational Study of Coumarin Compounds as Potential Inhibitors of Casein Kinase 2: DFT, 2D-QSAR, ADMET and Molecular Docking Investigations.

Published in:

Polycyclic Aromatic Compounds, 2025, v. 45, n. 5, p. 843, doi. 10.1080/10406638.2024.2418408

By:

Chennai, Hind Yassmine;
Belaidi, Salah;
Ouassaf, Mebarka;
Sinha, Leena;
Prasad, Onkar;
Serdaroğlu, Goncagül;
Chtita, Samir

Publication type:

Article

In Silico Design of Novel Piperazine-Based mTORC1 Inhibitors Through DFT, QSAR and ADME Investigations.

Published in:

Biophysica, 2024, v. 4, n. 4, p. 517, doi. 10.3390/biophysica4040034

By:

Karim, El Mehdi;
Abchir, Oussama;
Nour, Hassan;
Daoui, Ossama;
El Khattabi, Souad;
Siddique, Farhan;
El Kouali, M'Hammed;
Talbi, Mohammed;
Errougui, Abdelkbir;
Chtita, Samir

Publication type:

Article

Synthesis, In-Silico, In Vitro and DFT Assessments of Substituted Imidazopyridine Derivatives as Potential Antimalarials Targeting Hemoglobin Degradation Pathway.

Published in:

Journal of Computational Biophysics & Chemistry, 2023, v. 22, n. 7, p. 795, doi. 10.1142/S2737416523500412

By:

Ferreira, Oberdan Oliveira;
Mali, Suraj N.;
Jadhav, Bhagwat;
Chtita, Samir;
Kuznetsov, Aleksey;
Bhandare, Richie R.;
Shaik, Afzal B.;
Siddique, Farhan;
Yadav, Akshay R.;
Lai, Chin-Hung;
Cruz, Jorddy Neves;
de Aguiar Andrade, Eloisa Helena;
Arvindekar, Snehal;
Jawarkar, Rahul D.;
de Oliveira, Mozaniel Santana

Publication type:

Article

Discovery of promising cholinesterase inhibitors for Alzheimer's disease treatment through DFT, docking, and molecular dynamics studies of eugenol derivatives.

Published in:

Journal of the Chinese Chemical Society, 2022, v. 69, n. 9, p. 1534, doi. 10.1002/jccs.202200195

By:

Nour, Hassan;
Abdou, Achraf;
Belaidi, Salah;
Jamal, JamalEddine;
Elmakssoudi, Abdelhakim;
Dakir, Mohamed;
Chtita, Samir

Publication type:

Article

Artificial neural network‐based quantitative structure–activity relationships model and molecular docking for virtual screening of novel potent acetylcholinesterase inhibitors.

Published in:

Journal of the Chinese Chemical Society, 2021, v. 68, n. 8, p. 1379, doi. 10.1002/jccs.202000457

By:

Zerroug, Enfale;
Belaidi, Salah;
Chtita, Samir

Publication type:

Article

QSAR modeling using the Gaussian process applied for a series of flavonoids as potential antioxidants.

Published in:

Journal of King Saud University - Science, 2023, v. 35, n. 8, p. N.PAG, doi. 10.1016/j.jksus.2023.102898

By:

Boudergua, Samia;
Belaidi, Salah;
Mogren AlMogren, Muneerah;
Bounif, Aouda;
Bakhouch, Mohamed;
Chtita, Samir

Publication type:

Article

Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations.

Published in:

Journal of King Saud University - Science, 2022, v. 34, n. 7, p. N.PAG, doi. 10.1016/j.jksus.2022.102226

By:

Chtita, Samir;
Belaidi, Salah;
Qais, Faizan Abul;
Ouassaf, Mebarka;
AlMogren, Muneerah Mogren;
Al-Zahrani, Ateyah A.;
Bakhouch, Mohamed;
Belhassan, Assia;
Zaki, Hanane;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2.

Published in:

Journal of King Saud University - Science, 2021, v. 33, n. 2, p. N.PAG, doi. 10.1016/j.jksus.2021.101352

By:

Ouassaf, Mebarka;
Belaidi, Salah;
Mogren Al Mogren, Muneerah;
Chtita, Samir;
Ullah Khan, Shafi;
Thet Htar, Thet

Publication type:

Article

Virtual screening in drug-likeness and structure/activity relationship of pyridazine derivatives as Anti-Alzheimer drugs.

Published in:

Journal of King Saud University - Science, 2019, v. 31, n. 4, p. 595, doi. 10.1016/j.jksus.2018.03.024

By:

Zerroug, Anfel;
Belaidi, Salah;
BenBrahim, Imane;
Sinha, Leena;
Chtita, Samir

Publication type:

Article

In vitro and in silico evaluation of the antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners.

Published in:

Arabian Journal of Chemistry, 2024, v. 17, n. 1, p. N.PAG, doi. 10.1016/j.arabjc.2023.105465

By:

Chalkha, Mohammed;
Chebbac, Khalid;
Nour, Hassan;
Nakkabi, Asmae;
El Moussaoui, Abdelfattah;
Tüzün, Burak;
Bourhia, Mohammed;
Chtita, Samir;
Bakhouch, Mohamed;
Laaroussi, Hamid;
Kawsar, Sarkar M.A.;
Ben Hadda, Taibi;
Al Houari, Ghali;
Augustyniak, Maria;
Aboul-Soud, Mourad A.M.;
El Yazidi, Mohamed

Publication type:

Article

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP FOR THIAZOLIDINE-2,4-DIONE DERIVATIVES AS INHIBITORY ACTIVITIES OF 15-PGDH USING MLR AND ANN.

Published in:

Roumanian Journal of Chemistry / Revue Roumaine de Chimie, 2023, n. 9, p. 419, doi. 10.33224/rrch.2023.68.9.02

By:

MEDJAHED, Sihem;
BELAIDI, Salah;
TCHOUAR, Noureddine;
BELAIDI, Houmam;
SOUALMIA, Fatima;
CHTITA, Samir

Publication type:

Article

Repurposing of sericin combined with dactolisib or vitamin D to combat non-small lung cancer cells through computational and biological investigations.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-76947-0

By:

Helmy, Maged W.;
Youssef, Mariam H.;
Yamari, Imane;
Amr, Alaa;
Moussa, Farouzia I.;
El Wakil, Abeer;
Chtita, Samir;
El-Samad, Lamia M.;
Hassan, Mohamed A.

Publication type:

Article

A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-57702-x

By:

Shtaiwi, Amneh;
Khan, Shafi Ullah;
Khedraoui, Meriem;
Alaraj, Mohd;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

ANN-QSAR, Molecular Docking, ADMET Predictions, and Molecular Dynamics Studies of Isothiazole Derivatives to Design New and Selective Inhibitors of HCV Polymerase NS5B.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 12, p. 1712, doi. 10.3390/ph17121712

By:

Fattouche, Maroua;
Belaidi, Salah;
Abchir, Oussama;
Al-Shaar, Walid;
Younes, Khaled;
Al-Mogren, Muneerah Mogren;
Chtita, Samir;
Soualmia, Fatima;
Hochlaf, Majdi

Publication type:

Article

Exploring Moroccan Medicinal Plants for Anticancer Therapy Development Through In Silico Studies.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 11, p. 1528, doi. 10.3390/ph17111528

By:

Bouribab, Amal;
Karim, El Mehdi;
Khedraoui, Meriem;
Abchir, Oussama;
Errougui, Abdelkbir;
Raouf, Yasir S.;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

New Quinazolin-4(3H)-One Derivatives Incorporating Isoxazole Moiety as Antioxidant Agents: Synthesis, Structural Characterization, and Theoretical DFT Mechanistic Study.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 10, p. 1390, doi. 10.3390/ph17101390

By:

Rhazi, Yassine;
Sghyar, Riham;
Deak, Noemi;
Es-Sounni, Bouchra;
Rossafi, Bouchra;
Soran, Albert;
Laghmari, Mustapha;
Arzine, Azize;
Nakkabi, Asmae;
Hammani, Khalil;
Chtita, Samir;
M. Alanazi, Mohammed;
Nemes, Gabriela;
El. Yazidi, Mohamed

Publication type:

Article

Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 7, p. 886, doi. 10.3390/ph17070886

By:

Yamari, Imane;
Abchir, Oussama;
Nour, Hassan;
Khedraoui, Meriem;
Rossafi, Bouchra;
Errougui, Abdelkbir;
Talbi, Mohammed;
Samadi, Abdelouahid;
Kouali, MHammed El;
Chtita, Samir

Publication type:

Article

An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 7, p. 830, doi. 10.3390/ph17070830

By:

Khedraoui, Meriem;
Abchir, Oussama;
Nour, Hassan;
Yamari, Imane;
Errougui, Abdelkbir;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 2, p. 261, doi. 10.3390/ph17020261

By:

Abchir, Oussama;
Khedraoui, Meriem;
Nour, Hassan;
Yamari, Imane;
Errougui, Abdelkbir;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors.

Published in:

Natural Product Research, 2024, v. 38, n. 24, p. 4347, doi. 10.1080/14786419.2023.2281002

By:

Abchir, Oussama;
Nour, Hassan;
Daoui, Ossama;
Yamari, Imane;
ElKhattabi, Souad;
El Kouali, Mhammed;
Talbi, Mohammed;
Errougui, Abdelkbir;
Chtita, Samir

Publication type:

Article

In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling.

Published in:

Nucleosides, Nucleotides & Nucleic Acids, 2023, v. 42, n. 11, p. 877, doi. 10.1080/15257770.2023.2215839

By:

Hosen, Mohammed A.;
Qais, Faizan A.;
Chtita, Samir;
Rahman, Ibrahim A.;
Almehdi, Ahmed M.;
Ali, Ferdausi;
Almalki, Faisal A.;
Hadda, Taibi B.;
Laaroussi, Hamid;
Kawsar, Sarkar M. A.

Publication type:

Article

Structure‐Based Approaches for the Prediction of Alzheimer's Disease Inhibitors: Comparative Interactions Analysis, Pharmacophore Modeling and Molecular Dynamics Simulations.

Published in:

ChemistrySelect, 2024, v. 9, n. 6, p. 1, doi. 10.1002/slct.202303307

By:

Zerroug, Enfale;
Belaidi, Salah;
Chtita, Samir;
Tuffaha, Ghada;
AbulQais, Faizan;
Kciuk, Mateusz;
Dubey, Amit;
Taha, Mutasem O.

Publication type:

Article

Design of Acetylcholinesterase Inhibitors as Promising Anti‐Alzheimer's Agents Based on QSAR, Molecular Docking, and Molecular Dynamics Studies of Liquiritigenin Derivatives.

Published in:

ChemistrySelect, 2023, v. 8, n. 32, p. 1, doi. 10.1002/slct.202301466

By:

Nour, Hassan;
Hashmi, Md Amiruddin;
Belaidi, Salah;
Errougui, Abdelkbir;
El Kouali, Mhammed;
Talbi, Mohammed;
Chtita, Samir

Publication type:

Article

Structure‐Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α‐Amylase Inhibitors.

Published in:

ChemistrySelect, 2023, v. 8, n. 26, p. 1, doi. 10.1002/slct.202301092

By:

Abchir, Oussama;
Yamari, Imane;
Nour, Hassan;
Daoui, Ossama;
Elkhattabi, Souad;
Errougui, Abdelkbir;
Chtita, Samir

Publication type:

Article

Combined Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Indolyl-aryl-sulfone Derivatives as New HIV1 Inhibitors.

Published in:

Acta Chimica Slovenica, 2022, v. 69, n. 2, p. 489, doi. 10.17344/acsi.2022.7427

By:

Ouassaf, Mebarka;
Qais, Faizan Abul;
Belaidi, Salah;
Bakhouch, Mohamed;
Mohamed, Ahmed Said;
Chtita, Samir

Publication type:

Article

Combined 3D-QSAR and Molecular Docking Analysis of Thienopyrimidine Derivatives as Staphylococcus aureus Inhibit.

Published in:

Acta Chimica Slovenica, 2021, v. 68, n. 2, p. 289, doi. 10.17344/acsi.2020.5985

By:

Ouassaf, Mebarka;
Belaidi, Salah;
Khamouli, Saida;
Belaidi, Houmam;
Chtita, Samir

Publication type:

Article

Structure-Based Discovery of Phytocompounds from Azadirachta indica as Potential Inhibitors of Thioredoxin Glutathione Reductase in Schistosoma mansoni.

Published in:

Cell Biochemistry & Biophysics, 2025, v. 83, n. 2, p. 1677, doi. 10.1007/s12013-024-01577-2

By:

Onile, Olugbenga Samson;
Raji, Omotara;
Omoboyede, Victor;
Fadahunsi, Adeyinka Ignatius;
Onile, Tolulope Adelonpe;
Momoh, Abdul Onoruoiza;
Olukunle, Samuel;
Nour, Hassan;
Chtita, Samir

Publication type:

Article

Synthesis, crystal structure, IR, Raman-spectroscopy and DFT computation of monostrontium phosphate monohydrate, Sr(H2PO4)2·H2O.

Published in:

Journal of Coordination Chemistry, 2020, v. 73, n. 16, p. 2328, doi. 10.1080/00958972.2020.1815014

By:

El Makhloufy, Smail;
Majdi, El Mehdi;
Ouasri, Ali;
Chtita, Samir;
Saadi, Mohamed;
Ammari, Lahcen El;
Cherqaoui, Abdelouahed;
Belaaouad, Said

Publication type:

Article

QSPR study of the retention/release property of odorant molecules in pectin gels using statistical methods.

Published in:

Journal of Taibah University for Science, 2017, v. 11, n. 6, p. 1030, doi. 10.1016/j.jtusci.2017.05.004

By:

Belhassan, Assia;
Chtita, Samir;
Lakhlifi, Tahar;
Bouachrine, Mohammed

Publication type:

Article

QSAR analysis of the toxicity of phenols and thiophenols using MLR and ANN.

Published in:

Journal of Taibah University for Science, 2017, v. 11, n. 1, p. 1, doi. 10.1016/j.jtusci.2016.03.002

By:

Ghamali, Mounir;
Chtita, Samir;
Ousaa, Abdellah;
Elidrissi, Bouhya;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

QSPR studies of 9-aniliioacridine derivatives for their DNA drug binding properties based on density functional theory using statistical methods: Model, validation and influencing factors.

Published in:

Journal of Taibah University for Science, 2016, v. 10, n. 6, p. 868, doi. 10.1016/j.jtusci.2015.04.007

By:

Chtita, Samir;
Hmamouchi, Rachid;
Larif, Majdouline;
Ghamali, Mounir;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

Predictive modelling of the LD50 activities of coumarin derivatives using neural statistical approaches: Electronic descriptor-based DFT.

Published in:

Journal of Taibah University for Science, 2016, v. 10, n. 4, p. 451, doi. 10.1016/j.jtusci.2015.06.013

By:

Hmamouchi, Rachid;
Larif, Majdouline;
Chtita, Samir;
Adad, Azeddine;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

The inhibitory activity of aldose reductase of flavonoid compounds: Combining DFT and QSAR calculations.

Published in:

Journal of Taibah University for Science, 2016, v. 10, n. 4, p. 534, doi. 10.1016/j.jtusci.2015.09.006

By:

Ghamali, Mounir;
Chtita, Samir;
Hmamouchi, Rachid;
Adad, Azeddine;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

Quantitative structure–activity relationship studies of dibenzo[a,d]cycloalkenimine derivatives for non-competitive antagonists of N-methyl-d-aspartate based on density functional theory with electronic and topological descriptors.

Published in:

Journal of Taibah University for Science, 2015, v. 9, n. 2, p. 143, doi. 10.1016/j.jtusci.2014.10.006

By:

Chtita, Samir;
Larif, Majdouline;
Ghamali, Mounir;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

Phytochemical analysis, antimicrobial and antioxidant activities of essential oils of the species Artemisia mesatlantica maire: in vitro and in silico approaches.

Published in:

CyTA: Journal of Food, 2024, v. 22, n. 1, p. 1, doi. 10.1080/19476337.2024.2388269

By:

Chebbac, Khalid;
Abchir, Oussama;
Chalkha, Mohammed;
El Moussaoui, Abdelfattah;
El Barnossi, Azeddin;
Lafraxo, Soufyane;
Chtita, Samir;
Salamatullah, Ahmad Mohammad;
Bourhia, Mohammed;
Dauelbait, Musaab;
Ibenmoussa, Samir;
Benziane Ouaritini, Zineb;
Guemmouh, Raja

Publication type:

Article

Antioxidant, Enzyme and Molecular Docking Tyrosinase Inhibitory Activities of Major Polyphenols in Boscia coriacea Graells, Grewia erythraea (Schweinf.) Chiov., Ochradenus baccatus Delile, and Orthosiphon pallidus Royle Ex Benth.

Published in:

Chemistry & Biodiversity, 2025, v. 22, n. 4, p. 1, doi. 10.1002/cbdv.202402498

By:

Elmi, Abdirahman;
Zengin, Gokhan;
Said, Mohamed A.;
Gil‐Ortiz, Ricardo;
Caprioli, Giovanni;
Piatti, Diletta;
Spina, Rosella;
Chtita, Samir;
Ricciutelli, Massimo;
Abdoul‐Latif, Fatouma M.;
Laurain‐Mattar, Dominique

Publication type:

Article

Synthesis, Antimicrobial, Molecular Docking Against Bacterial and Fungal Proteins and In Silico Studies of Glucopyranoside Derivatives as Potent Antimicrobial Agents.

Published in:

Chemistry & Biodiversity, 2024, v. 21, n. 9, p. 1, doi. 10.1002/cbdv.202400932

By:

Islam, Mazherul;
Hossain, Ahad;
Yamari, Imane;
Abchir, Oussama;
Chtita, Samir;
Ali, Ferdausi;
Kawsar, Sarkar M. A.

Publication type:

Article

QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors.

Published in:

Chemistry Central Journal, 2018, v. 12, n. 1, p. 1, doi. 10.1186/s13065-018-0401-x

By:

Aouidate, Adnane;
Ghaleb, Adib;
Ghamali, Mounir;
Chtita, Samir;
Ousaa, Abdellah;
Choukrad, M’barek;
Sbai, Abdelouahid;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity.

Published in:

Chemistry Central Journal, 2017, v. 11, n. 1, p. 1, doi. 10.1186/s13065-017-0269-1

By:

Aouidate, Adnane;
Ghaleb, Adib;
Ghamali, Mounir;
Chtita, Samir;
Choukrad, M'barek;
Sbai, Abdelouahid;
Bouachrine, Mohammed;
Lakhlifi, Tahar

Publication type:

Article

PASS PREDICTION, MOLECULAR DOCKING AND PHARMACOKINETIC STUDIES OF ACYL-SUBSTITUTED BIOACTIVE GALACTOPYRANOSIDE ESTERS AS ANTIBACTERIAL AGENTS.

Published in:

Macedonian Journal of Chemistry & Chemical Engineering, 2022, v. 41, n. 1, p. 47, doi. 10.20450/mjcce.2022.2403

By:

Abe Kawsar, Sarkar Mohammad;
Ouassaf, Mebarka;
Chtita, Samir;
Jui, Aishi Barua;
Belaidi, Salah

Publication type:

Article

Crystallographic and Computational Studies of Semisynthesized 4-Allyl-2-Methoxyphenyl-4-Nitrobenzenesulfonate.

Published in:

Journal of Chemical Crystallography, 2025, v. 55, n. 2, p. 127, doi. 10.1007/s10870-025-01045-6

By:

Ouaddi, Ayoub;
Khedraoui, Meriem;
Es-Sounni, Bouchra;
Chtita, Samir;
Daran, Jean-Claude;
Benharref, Ahmed;
Berraho, Moha;
El Ammari, Lahcen;
Fdil, Rabiaa;
Bakhouch, Mohamed

Publication type:

Article

Metal Complexes of a Thiosemicarbazone with Heterocyclic Bases as Coligands: Spectral Characterization, Crystal Structures, DFT and In silico Docking Studies.

Published in:

Journal of Chemical Crystallography, 2024, v. 54, n. 1, p. 99, doi. 10.1007/s10870-023-01001-2

By:

Mathews, Nimya Ann;
Sithambaresan, M.;
Kaya, Savaş;
Chtita, Samir;
Kurup, M. R. Prathapachandra

Publication type:

Article

Chemical composition and antibacterial activity of the essential oils of Asphodelus microcarpus Salzm. & Viv. growing wild at different sites in Morocco: ADME-Tox, molecular docking and molecular dynamics simulations.

Published in:

Journal of Essential Oil Research, 2025, v. 37, n. 1, p. 20, doi. 10.1080/10412905.2024.2426488

By:

Benchama, Zakaria;
EL Ouaddari, Anass;
Yamari, Imane;
Mouzaki, Mustapha;
Guedmioui, Aouatif;
Mir, Youssef;
Chtita, Samir;
Jamal Eddine, Jamal;
EL Amrani, Abdelaziz

Publication type:

Article

2D-QSAR-guided design of potent carbamate-based inhibitors of acetylcholinesterase.

Published in:

PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0320789

By:

Khedraoui, Meriem;
Karim, El Mehdi;
Abchir, Oussama;
Errougui, Abdelkbir;
Raouf, Yasir S.;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

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.

Published in:

PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0317261

By:

Guerguer, Fatima Zahra;
Rossafi, Bouchra;
Abchir, Oussama;
Raouf, Yasir S.;
Albalushi, Dhabya Bakhit;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

Moroccan natural products for multitarget-based treatment of Alzheimer's disease: A computational study.

Published in:

PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0313411

By:

Guerguer, Fatima Zahra;
Bouribab, Amal;
Karim, El Mehdi;
Khedraoui, Meriem;
Amegrissi, Fatiha;
Raouf, Yasir S.;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives.

Published in:

PLoS ONE, 2024, v. 19, n. 9, p. 1, doi. 10.1371/journal.pone.0308308

By:

Abchir, Oussama;
Khedraoui, Meriem;
Yamari, Imane;
Nour, Hassan;
Errougui, Abdelkbir;
Samadi, Abdelouahid;
Chtita, Samir

Publication type:

Article

Virtual design and screening of new (+)-catechin derivates N- and/or S-heterocyclic fragment for anti-malarial and anti-SARS-CoV-2 activities by In silico simulation.

Published in:

Journal of Drug Delivery & Therapeutics, 2024, v. 14, n. 9, p. 35, doi. 10.22270/jddt.v14i9.6762

By:

Mohamed, Ahmed Said;
Yamari, Imane;
Mounadi, Nouh;
Elmi, Abdirahman;
Bouachrine, Mohammed;
Zaki, Hanane;
Chtita, Samir

Publication type:

Article

2D‐QSAR and molecular docking studies of carbamate derivatives to discover novel potent anti‐butyrylcholinesterase agents for Alzheimer's disease treatment.

Published in:

Bulletin of the Korean Chemical Society, 2022, v. 43, n. 2, p. 277, doi. 10.1002/bkcs.12449

By:

Nour, Hassan;
Abchir, Oussama;
Belaidi, Salah;
Qais, Faizan Abul;
Chtita, Samir;
Belaaouad, Said

Publication type:

Article

In silico exploration of Aloe vera leaf compounds as dual AChE and BChE inhibitors for Alzheimer’s disease therapy.

Published in:

Current Pharmaceutical Analysis, 2025, v. 21, n. 4, p. 238, doi. 10.1016/j.cpan.2025.03.005

By:

Khedraoui, Meriem;
Guerguer, Fatima Zahra;
Karim, El Mehdi;
Errougui, Abdelkbir;
Chtita, Samir

Publication type:

Article