Magdi E. A. Zaki
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View article: ANOVA and design expert model for discoloring of azo benzene derivative dye used mesoporous aluminum silicon oxide nanoparticles
ANOVA and design expert model for discoloring of azo benzene derivative dye used mesoporous aluminum silicon oxide nanoparticles Open
Modeling using statistical methods as ANOVA and design expert help in predicting, improving, and perfecting a system’s behavior by integration between all experimental data and different parameters, in addition to it doesn’t consume time o…
View article: Insight into the Anticancer Potential of Imidazole-Based Derivatives Targeting Receptor Tyrosine Kinases
Insight into the Anticancer Potential of Imidazole-Based Derivatives Targeting Receptor Tyrosine Kinases Open
Kinases, which make up 20% of the druggable genome, are thought to be essential signaling enzymes. Protein phosphorylation is induced by protein kinases. Proliferation, the cell cycle, apoptosis, motility, growth, differentiation, and othe…
View article: Decoding cross-talk between Mpox and HIV: insights from transcriptomics and network-based analyses
Decoding cross-talk between Mpox and HIV: insights from transcriptomics and network-based analyses Open
This study unveils the shared mechanism between HIV and Mpox based on the hub genes perspective, offering new insights into co-infection and highlighting potential possibilities for simultaneous therapeutic intervention in both diseases.
View article: Identification of Datura metel phytochemicals as potential EGFR inhibitors in lung cancer
Identification of Datura metel phytochemicals as potential EGFR inhibitors in lung cancer Open
Datura metel L., a well-known herb in traditional Ayurvedic medicine, has shown promising anti-cancer activity in prior studies, though the specific active compounds and their mechanisms remain unclear. This study investigates the molecula…
View article: Benzimidazotriazines as adenosine receptor-targeting anticancer agents: Synthesis, cytotoxicity, DFT, and docking studies
Benzimidazotriazines as adenosine receptor-targeting anticancer agents: Synthesis, cytotoxicity, DFT, and docking studies Open
Benzimidazotriazines are heterocyclic compounds with notable anticancer potential. In this work, a novel series of benz[4,5]imidazo[2,1-c][1,2,4]triazines was synthesized via a one-pot reaction of 2-hydrazinobenzimidazole with hydrazonoyl …
View article: Design, Synthesis, Cytotoxicity Assessment, and Molecular Docking of Novel Triazolopyrimidines as Potent Cyclin‐Dependent Kinase 4 Inhibitors
Design, Synthesis, Cytotoxicity Assessment, and Molecular Docking of Novel Triazolopyrimidines as Potent Cyclin‐Dependent Kinase 4 Inhibitors Open
Cyclin‐dependent kinase 4 (CDK4) plays a pivotal role in cell cycle regulation and is a well‐established target in cancer therapy. Triazolopyrimidines, as bioactive heterocyclic compounds, represent a promising scaffold for the development…
View article: Synthesis, and Computational Insights Into Quinoline Hydrazide Derivatives as Potential Antimicrobial Agents
Synthesis, and Computational Insights Into Quinoline Hydrazide Derivatives as Potential Antimicrobial Agents Open
A series of novel quinoline hydrazide derivatives (4a–4o) were synthesized and characterized by mass spectrometry, ¹H NMR, and ¹³C NMR. The compounds exhibited notable antibacterial and antifungal activity. Among gram‐positive strains, com…
View article: Assessment of <i>Annona muricata</i> Phytochemicals as 17β‐HSD1 Inhibitors through Molecular Docking, Dynamics Simulation, DFT, and ADMET Analyses
Assessment of <i>Annona muricata</i> Phytochemicals as 17β‐HSD1 Inhibitors through Molecular Docking, Dynamics Simulation, DFT, and ADMET Analyses Open
Breast cancer remains a leading cause of female mortality, largely sustained by local oestrogen production. The enzyme 17β‐hydroxysteroid dehydrogenase type 1 (17β‐HSD1) is an enzyme involved in the oestrogen biosynthesis pathway, particul…
View article: Synthesis, in vitro and in silico investigations of coumarin-benzamide hybrid molecules as urease inhibitors
Synthesis, in vitro and in silico investigations of coumarin-benzamide hybrid molecules as urease inhibitors Open
Enzymes play significant role in a variety of biochemical reactions. Urease is an enzyme that catalyzes the hydrolysis of urea into ammonia and carbamate. Its importance is especially evident in the context of Helicobacter pylori infection…
View article: Catalytic multicomponent synthesis of imidazopyrimidine derivatives: an updated review
Catalytic multicomponent synthesis of imidazopyrimidine derivatives: an updated review Open
Fused imidazopyrimidine nucleus constitutes an important class of heterocyclic compounds in organic chemistry. Imidazopyrimidine consists of imidazole and pyrimidine ring, both of which are present in natural products such as folic acid an…
View article: In vitro, in silico, and DFT evaluation of antimicrobial imidazole derivatives with insights into mechanism of action
In vitro, in silico, and DFT evaluation of antimicrobial imidazole derivatives with insights into mechanism of action Open
In this study, three imidazole derivatives : 2,4,5-triphenyl-1-(4-(phenyldiazenyl)phenyl)-1 H-imidazole (N1), 2-(4-chlorophenyl)-4,5-diphenyl-1-(4-(phenyldiazenyl)phenyl)-1 H-imidazole (N2), and 2-(2,4-dichlorophenyl)-4,5-diphenyl-1-(4-(ph…
View article: Enzyme-Catalysed Multicomponent Reactions (MCRs) for the Green Synthesis of Bioactive Heterocycles-A Review
Enzyme-Catalysed Multicomponent Reactions (MCRs) for the Green Synthesis of Bioactive Heterocycles-A Review Open
The increasing need for sustainable and eco-friendly chemical processes has driven considerable interest in biocatalysis and multicomponent reactions (MCRs) as greener approaches in organic synthesis. Enzymes, owing to their remarkable sel…
View article: Integrated kinetic, thermodynamic, and statistical investigation of aniline blue dye removal using magnesium silicate nanoparticles
Integrated kinetic, thermodynamic, and statistical investigation of aniline blue dye removal using magnesium silicate nanoparticles Open
Magnesium silicate nanoparticles were found to be an effective adsorbent for aniline blue dye from wastewater. Using the sol-gel technique, magnesium silicate nanoparticles were synthesized and characterized using X-ray diffraction (XRD), …
View article: Asymmetric Organocatalytic Oxidative Michael addition–Electrocyclization Cascade towards the Enantioselective Dihydroisoindole-triones
Asymmetric Organocatalytic Oxidative Michael addition–Electrocyclization Cascade towards the Enantioselective Dihydroisoindole-triones Open
A novel asymmetric organocatalytic cascade sequence involving an oxidative Michael addition followed by a 6π-electrocyclic ring closure has been developed. A novel camphor sulfonyl-substituted primary amine catalyst efficiently delivers st…
View article: Synthesis, photoluminescence properties, solvent effect in molecular structure level, topology, and docking studies on Sulfa drug derivative
Synthesis, photoluminescence properties, solvent effect in molecular structure level, topology, and docking studies on Sulfa drug derivative Open
This study examines the analysis of infrared, Raman, electronic spectral analysis, and 1H, 13C NMR spectra. Additionally, it investigates the features of NBO properties. A study was done to investigate the electronic transition and FMOs in…
View article: Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis
Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis Open
A regioselective protocol is developed and validated for the synthesis of pyrazolo[3,4‐d]thiazoles and polycyclic‐fused thiazoles through the reactions of 2‐[((E)‐benzylidene)hydrazono]‐5‐[(Z)‐4‐methoxybenzylidene]thiazolidin‐4‐one with hy…
View article: Novel thiazole derivatives as effective anti-cancer agents against human osteosarcoma cell line (SaOS-2): Microwave-assisted one-pot three-component synthesis, in vitro anti-cancer studies, and in silico investigations
Novel thiazole derivatives as effective anti-cancer agents against human osteosarcoma cell line (SaOS-2): Microwave-assisted one-pot three-component synthesis, in vitro anti-cancer studies, and in silico investigations Open
The current research involves the preparation of novel thiazole derivatives, which was carried out via one-pot three-component reaction utilizing conventional and microwave irradiation (MW) methods. The MW method reduced the reaction time …
View article: Magnetic Nanoparticle-Catalysed One-Pot Multicomponent Reactions (MCRs): A Green Chemistry Approach
Magnetic Nanoparticle-Catalysed One-Pot Multicomponent Reactions (MCRs): A Green Chemistry Approach Open
The synthesis of heterocyclic compounds has gained significant attention in organic chemistry due to their diverse pharmacological properties. However, traditional synthetic approaches often involve hazardous chemicals, high energy consump…
View article: Electrochemical investigation of oxytrol in fizzy drinks and juices via graphene and polymer printed PVC by ANOVA and design expert
Electrochemical investigation of oxytrol in fizzy drinks and juices via graphene and polymer printed PVC by ANOVA and design expert Open
High dosages of oxytrol induce chronic as well as acute toxicity such as hallucination, irregular heartbeat, hoarseness, and coma. This study focused on novel PVC-printed polymer sensors and graphene sensors, which were synthesized to incr…
View article: Facile Synthesis of 4-(Methoxycarbonyl)phenyl 5-Arylfuran-2-Carboxylates via Readily Available Pd Catalyst–Their Thermodynamic, Spectroscopic Features and Nonlinear Optical Behavior
Facile Synthesis of 4-(Methoxycarbonyl)phenyl 5-Arylfuran-2-Carboxylates via Readily Available Pd Catalyst–Their Thermodynamic, Spectroscopic Features and Nonlinear Optical Behavior Open
In this work, we described the synthesis of 4-(methoxycarbonyl)phenyl 5-bromofuran-2-carboxylate by reacting 5-bromofuroic acid with methylparaben in the incorporation of DCC/DMAP (Steglich esterification) as coupling agents. Later on, we …
View article: Pharmacological Evaluation of active compounds in papaya associated with thrombocytopenia inhibition in dengue patients through in silico approaches
Pharmacological Evaluation of active compounds in papaya associated with thrombocytopenia inhibition in dengue patients through in silico approaches Open
This study investigates the therapeutic potential of five natural compounds from Carica papaya - olean-12-ene, quercetin, apigenin, luteolin and kaempferol - against dengue virus (DENV) using a multi-faceted in silico approach. Quantum che…