Exploring potential therapeutics: Targeting dengue virus NS5 through molecular docking, ADMET profiling, and DFT analysis
Radhia Mazri, Mebarka Ouassaf, Aicha Kerassa, Bader Y. Alhatlani
Aicha Kerassa
عائشة كراسعProfessor
8
Research output
53
Citations
4
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View allWeighted concepts mined from titles, abstracts and topics of the research output, grouped by field.
- Computational Drug Discovery Methods
- Synthesis and Characterization of Heterocyclic Compounds
- molecular docking
- Computational Theory and Mathematics
- Organic Chemistry
- ADMET prediction
- Advanced Chemical Physics Studies
- Chemistry
- Organic and Molecular Conductors Research
- Computer Science
Research output(8)
View allComputer-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
Nour-El Houda Derki, Aicha Kerassa, Salah Belaıdı, Maroua Derki, Imane Yamari, Abdelouahid Samadi, Samir Chtita
Potential novel HIV-1 reverse transcriptase inhibitors: a modeling and evaluation approach
Malika Mellaoui, Radhia Mazri, Mohamed Mouadh Messaoui, Aicha Kerassa, Mebarka Ouassaf
Study by computational methods of the electronic structure of a series of organic molecules and their charge transfer complexes
Salah Belaıdı, Aicha Kerassa
2024Preprint Open access
Novel therapeutic agents for H5N1 influenza virus through 3D-QSAR, molecular docking, ADMET prediction, and DFT based global reactivity descriptors
Afaf Zekri, Mebarka Ouassaf, Shafi Ullah Khan, Aicha Kerassa, Bader Y. Alhatlani