Works by Abchir, Oussama

Results: 21

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

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

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

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

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

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

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

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

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

Computer-guided identification of novel inhibitors of apoptosis-signaling kinase 1 from Spondia mombim bioactive compounds against colorectal cancer.

Published in:

Egyptian Journal of Medical Human Genetics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s43042-024-00625-z

By:

Elekofehinti, Olusola Olalekan;
Popoola, Hannah Oluwaseun;
Oluwatuyi, Adedotun Olayemi;
Iwaloye, Opeyemi;
Akinjiyan, Moses Orimoloye;
Cecilia, Oluwamodupe;
Ogundolie, Frank Abimbola;
Olatunde, Olalekan Isaac;
Abchir, Oussama;
Chtita, Samir;
Rocha, Joao Batista Texeira

Publication type:

Article

Artificial Neural Network and Multiple Regression Analysis Applied to 2D-QSAR Studies: the Case of Imidazolidine-2,4-dione as PTP1B Inhibitors.

Published in:

Philippine Journal of Science, 2025, v. 154, n. 1, p. 333

By:

Aggoun, Siham;
Belaidi, Salah;
Ghamri, Meriam;
Kerassa, Aicha;
Cinar, Mehmet;
Yamari, Imane;
Abchir, Oussama;
Chtita, Samir

Publication type:

Article

Artificial Neural Network and Multiple Regression Analysis Applied to 2D-QSAR Studies: the Case of Imidazolidine-2,4-dione as PTP1B Inhibitors.

Published in:

Philippine Journal of Science, 2024, v. 153, n. 1, p. 333, doi. 10.56899/153.01.28

By:

Aggoun, Siham;
Belaidi, Salah;
Ghamri, Meriam;
Kerassa, Aicha;
Cinar, Mehmet;
Yamari, Imane;
Abchir, Oussama;
Chtita, Samir

Publication type:

Article

Molecular Insights into Antimicrobial Triazole Compounds: A Synergistic 2D‐QSAR, DFT, and POM Approach.

Published in:

ChemistrySelect, 2025, v. 10, n. 1, p. 1, doi. 10.1002/slct.202403950

By:

Maymoun, Ghizlan;
Lafridi, Hind;
Lmachraa, Imane;
Zgou, Hsaine;
Oussama, Abchir;
Daoui, Ossama;
Mkhayar, Khaoula;
Elkhattabi, Souad;
Lakbaibi, Zouhair;
Chtita, Samir

Publication type:

Article

In vitro and in silico analysis for elucidation of antioxidant potential of Djiboutian Avicennia Marina (Forsk.) Vierh. phytochemicals.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 7, p. 3410, doi. 10.1080/07391102.2023.2213338

By:

Mohamed, Ahmed Said;
Elmi, Abdirahman;
Spina, Rosella;
Kordofani, Maha A. Y.;
Laurain-Mattar, Dominique;
Nour, Hassan;
Abchir, Oussama;
Chtita, Samir

Publication type:

Article

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.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 7768, doi. 10.1080/07391102.2022.2124456

By:

Daoui, Ossama;
Nour, Hassan;
Abchir, Oussama;
Elkhattabi, Souad;
Bakhouch, Mohamed;
Chtita, Samir

Publication type:

Article

Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 4, p. 1, doi. 10.1007/s00894-022-05097-9

By:

Abchir, Oussama;
Daoui, Ossama;
Belaidi, Salah;
Ouassaf, Mebarka;
Qais, Faizan Abul;
ElKhattabi, Souad;
Belaaouad, Said;
Chtita, Samir

Publication type:

Article