Prediction of octanol/water partition coefficient of selected ferrocene derivatives using rekker method
Journal of Fundamental and Applied Sciencesالمجلّد 3، (2)، الصفحات 1832015مقال وصول مفتوحعدّة مصادر 4
المُخرَجات البحثية
Erratum to: Measurement and prediction of solid–liquid phase equilibria for systems containing biphenyl in binary solution with long chain n-alkanes
Issam Boudouh، Said Lotfi Hafsaoui، Rachid Mahmoud، Djamel Barkat
In vitro and in silico antioxydant activity, toxicity prediction, and molecular docking study of 3- and 3,3'-nitrophenylferrocene and their reduced amines
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
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
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
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
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
Anti‐Diabetic Activity of Flavonol Glucosides From Fumana montana Pomel: In vitro Analysis, In Silico Docking, ADMET Prediction, and Molecular Dynamics Simulations
Habiba Laraoui، Elhafnaoui Lanez، Nadjiba Zegheb، Aicha Adaika، Touhami Lanez، Mohammed Benkhaled
UV-Visible Spectroscopic Technique-Data Mining Tool as a Reliable, Fast, and Cost-Effective Method for the Prediction of Total Polyphenol Contents: Validation in a Bunch of Medicinal Plant Extracts
Fathi Guemari، Salah Eddine Laouini، Abdelkrim Rebiai، Abderrhmane Bouafia، Souhaila Meneceur، Ali Tliba، Kamlah Ali Majrashi، Sohad A. Alshareef، Farid Menaa، Ahmed Barhoum
GC/MS analysis and computational evaluation of C. cinerea EO constituents for colorectal cancer: Molecular docking, dynamics, and quantum chemical insights into Cis-Verbenyl acetate
Bouchagra Samah، Elhafnaoui Lanez، Mohammed Larbi Benamor، Yahia Bekkar، Salah Neghmouche Nacer، Lotfi Bourougaa، Rania Bouraoui، Stefanıa Garzoli، Touhami Lanez
Eco-engineered natural clay: methylene blue adsorption optimized by RSM-ANN
Raouia Lebbihi، Larbi Haddad، Chouaib Labiod، Ahlem Guesmi، Lotfi Khezami، Mamoun Fellah
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
Potential novel HIV-1 reverse transcriptase inhibitors: a modeling and evaluation approach
Malika Mellaoui، Radhia Mazri، Mohamed Mouadh Messaoui، Aicha Kerassa، Mebarka Ouassaf
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
Evaluating the corrosion inhibition potential of two innovative N-benzyl-5-bromo isatin derivatives for carbon steel in alkaline environments: insights from DFT, SAR and toxicology
Adel Khiouani، Salah Eddine Hachani
In silico ADMET, toxicological analysis, molecular docking studies and Molecular dynamics simulation of Afzelin with potential antibacterial effects against Staphylococcus aureus
Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry :المجلّد 7، (3)، الصفحات 10-162023مقال وصول مفتوح 17
Synthesis and antioxidant activity of six novel N-ferrocenylmethyl-N-(nitrophenyl)- and -N-(cyanophenyl)-acetamides: Cyclic voltammetry and molecular docking studies
Contribution to the development of a simulation software performance and sharing ratio in liquid-liquid extraction
Abdelkader Hadj Seyd، Touhami Lanez
Synthesis, In‐Silico Evaluation, ADME Analysis, and Molecular Dynamics Simulation of Novel β‐Lactam Derivatives Based on Diclofenac and Sulindac With Anticancer and Antioxidant Activities
Nabeel Abed Abdul-Rida، Ahmed M. Youssef، Elhafnaoui Lanez، Yahia Bekkar، Najim Aboud Al-Masoudi، Bahjat Ali Saeed، Wasfi A. Al‐Masoudi