Exploring potential therapeutics: Targeting dengue virus NS5 through molecular docking, ADMET profiling, and DFT analysis
Radhia Mazri، Mebarka Ouassaf، Aicha Kerassa، Bader Y. Alhatlani
المُخرَجات البحثية
Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches
Ridha Bendaas، Yahia Bekkar، L. Messaadia، Lotfi Bourougaa، Abdelatif Messaoudi، S. Kiamouche، M. Benamira
Synthesis, molecular docking, drug‐likeness analysis, and ADMET prediction of nickel and zinc tetraphenyl‐porphyrin complexes as possible antioxidant agents
Elhafnaoui Lanez، Lalmi Zerrouk، Lazhar Bechki، Touhami Lanez، Aicha Adaika، Nadjiba Zegheb، Kaouther Nesba
In Vitro Antimicrobial Activity, DFT/ADMET Studies And Molecular Docking of N-Salicylidene-O-Substituted-Aniline as Inhibitors of HERG I and HERG II
Chemical composition’s effect on Solanum nigrum Linn.’s antioxidant capacity and erythrocyte protection: Bioactive components and molecular docking analysis
Abdelatif Aouadi، Djamila Hamada Saoud، Abdelkrim Rebiai، Mona H. Ibrahim، Mohammed Messaoudi، Khaoula Alia، Halima Zidane، Ayomide Victor Atoki، Fatma Mohamed Abd El‐Mordy
Electrochemical Characterization and DNA Interaction Studies of a Novel Copper Schiff Base Complex: Insights From Cyclic Voltammetry and Molecular Docking
Chahinaz Zoubeidi، Ali Ourari، Elhafnaoui Lanez، Touhami Lanez
Ocimum basilicum L. : A Systematic Review on Pharmacological Actions and Molecular Docking Studies for Anticancer Properties
Design, Synthesis, Anti-Proliferative and Molecular Docking Studies of Combretastatin A4 Analogues with 2-Azetidinone Moiety
Souad J. Lafta، Asim A. Balakit، Nabel B. Ayrim، Fatin Fadhel Alkazazz، Yahia Bekkar، Lotfi Bourougaa، Basil A. Saleh
2024ما قبل الطبع وصول مفتوح
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
In silico research on Novel Derivatives of N-(Acetylphenyl)-N-Ferrocenylmethyl-3-nitroaniline as DNA Binding Agents: Using Diverse Computational Methods, including Molecular Docking and ADME/Toxicity Assessment
Asma Yahiaoui، Nabil Benyza، Imad Messai، Touhami Lanez، Elhafnaoui Lanez
Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry :المجلّد 8، (4)، الصفحات 93-1022024مقال وصول مفتوح 3
In vitro antioxidant activity, QSAR, in silico toxicity prediction, molecular docking studies, and molecular dynamics of a series of N-ferrocenylmethylanilines as potent antioxidant agents
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
Nour-El Houda Derki، Aicha Kerassa، Salah Belaıdı، Maroua Derki، Imane Yamari، Abdelouahid Samadi، Samir Chtita
Synthesis, characterization, cyclic voltammetry, and molecular docking studies of the antioxidant activities of superoxide anion radicals towards meso-tetramethophenyl-porphyrin and meso-tetrabiphenyl-porphyrin
Lalmi Zerrouk، Lazhar Bechki، Elhafnaoui Lanez، Touhami Lanez
In Vitro Antioxidant Activity, Qsar, in Silico Toxicity Prediction, and Molecular Docking Studies of a Series of N-Ferrocenylmethylanilines as Potent Antioxidant Agents
2024ما قبل الطبع وصول مفتوح
In Silico Assessment of the Insecticidal and Herbicidal Potential of Silichristin Isolated from Silybum Marianum: Pharmacokinetic-Toxicity properties, Molecular Docking, and Molecular Dynamics
Touhami Lanez، Regadia Aissaoui، Mohamed Nadjib Rebizi، K. Boussaid، Elhafnaoui Lanez
Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry :المجلّد 9، (2)، الصفحات 111-1242024مقال وصول مفتوح 3
ROS scavenging, DNA binding and NADPH oxidase inhibition potential of N’-Ferrocenylmethyl-N’- phenylpropionohydrazide using cyclic voltammetry and molecular docking
Hanane Mouada، Touhami Lanez، Imran Zafar
Review of: "Expansion of the Experimental Antifungal Activities Through in Silico Docking Study of Compounds From Albizia Lebbeck"
2024أخرى وصول مفتوح
Assessment of the electrostatic binding of ferrocenylmethyl-nitroaniline derivatives to DNA: A combined experimental and theoretical study
Touhami Lanez، Mehran Feizi‐Dehnayebi، Elhafnaoui Lanez
In vitro and in silico study of biosynthesized silver nanoparticles using Nigella sativa extract against SARS-CoV-2 and Candida albicans
Henda Daoudi، Abderrhmane Bouafia، Salah Eddine Laouini، Souhaila Meneceur، Mamoun Fellah، Amjad Iqbal، Gamal Abdel-Rahman El-Hiti، Boulbaba Selmi
Investigation on the Potential of Some N-phenylalkanehydrazides as Superoxide Anion Radical Scavengers and Glutathione Peroxidase Binders with ADME Prediction: Comparison with Vitamin C
Hanane Mouada، Touhami Lanez