Professor Samir Chtita
University of Hassan II Casablanca
Research areas: Pharmacology, Toxicology and Pharmaceutics · Drug Discovery · Computational Drug Discovery Methods · Synthesis and Characterization of Heterocyclic Compounds · Synthesis and biological activity
0000-0003-2344-5101
About
Samir CHTITA is currently Professor at the Fac. of Sciences Ben M’Sik since 2018. He was graduated in computational chemistry from Mohammed Ben Abdellah Univ. and got PhD degree in Physical Chemistry from the Moulay Smail Univ. The main research interests of Pr. Chtita cover the computational chemistry, medicinal chemistry, chemoinformatics, QSAR/QSPR and drug design problems. The results from these studies have been the objects of more than 200 scientific publications on international journals.
Employment
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University of Hassan II Casablanca Professor2018 - Present
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (356)
- Crystal structure and DFT study of the regioselective N-alkylation of pyrrolobenzodiazepine-2,5‑dione with 1-bromobutane Save
- Design, synthesis, and biological assessment of a novel ONO-Schiff base and its M(ONO)₂ complexes: experimental and computational insights into antimicrobial, anti-inflammatory, and anticancer activities Save
- Design and computational investigation of gefitinib-based 1,2,3-triazole hybrids as potential EGFR inhibitors for non-small cell lung cancer: 3D-QSAR and molecular modeling study Save
- Temperature effects on the microstructural, dynamic, and dielectric properties of the {CholiniumBF₄–γ-Butyrolactone} ionic liquid solution: A combined molecular dynamics and DFT study Save
- Exploring Moroccan natural products as potential antidiabetic drugs: An in silico approach using molecular docking, ADMET, density functional theory and molecular dynamics simulations Save
- Synergistic Computational Techniques For Discovery of Novel Benzylidene-2,4-thiazolidinedione Derivatives as PTP1B Inhibitors Save
- Preliminary biochemical and in-silico study of Spondias mombin phytocompounds as druggable candidate for managing human oral bacteria Save
- In silico Exploration of the Therapeutic Potential of Phytocannabinoids Save
- Experimental synthesis and theoretical study of the cyclization of chalcone-derived thiosemicarbazones: Effect of bromine substitution Save
- Repositioning antiviral phytoconstituents as broad-spectrum inhibitors of influenza A neuraminidase and human metapneumovirus fusion protein Save
- Antioxidant and Antimicrobial Activities of Essential Oil Extracted from Leaves of African Boxthorn (Lycium ferocissimum): In-Vitro and In-Silico Approaches Save
- In Vitro Experimental and Computational Studies of the Vasorelaxant Effects of Quinazolin-4(3H)-one and Its Interaction with α1-Adrenergic Receptors Save
- In vitro alpha amylase and protein denaturation inhibitory activity of newer generation Schiff base Oxazolone derivatives: Synthesis, chemical characterization, molecular docking, MD simulation, DFT, ADMET, and bioactivity Save
- Machine learning–based 2D-QSAR modeling and rational design of quinazolinone-derived Schiff bases as potential COX-2 inhibitors Save
- Stereoselective 1,3‐Dipolar Cycloaddition of Nitrile Oxides With 9α‐Hydroxy‐1β,10α‐epoxyparthenolide: A Combined Experimental and DFT Study Save
- Heterocyclic Amine-Containing Derivatives of 13-amino-9α-Hydroxyparthenolide: Stereoselective Synthesis, Spectroscopic Characterization and MEDT-DFT Reactivity Study Save
- Experimental and theoretical study of doped sillenite materials: Applications in photocatalysis and optoelectronics Save
- In vitro protein denaturation inhibitory activity of newer generation pyrimidine schiff base derivatives: Synthesis, chemical characterization, molecular docking, MD simulation, DFT, ADMET, and bioactivity Save
- Computational Screening of Djiboutian Medicinal Plants Reveals Potential Dual Inhibitors Against Plasmodium falciparum and Plasmodium vivax Save
- Stylopine as multi-target anti-Alzheimer agent Save