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Author

Magdi E. A. Zaki

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Open access Aug 2026

A Topological and Spatial Analysis of FDA‐Approved Drugs, Blood‐Brain Barrier Permeants, Natural Products, and Metabolites

In this study, we present a comprehensive structural analysis of four distinct chemical libraries: FDA‐approved drugs, blood‐brain barrier (BBB) permeable agents, natural products (UNPDA), and human metabolites. Our multidimensional profiling reveals fundamental divergences in molecular architecture. While synthetic dr...

V. Masand, S. Al-Hussain, Mohammed Sharique Ahmed Quadri et al. · 0 citations
Review Aug 2026

Late-stage Functionalization Approaches for Dihydropyrimidinone Scaffolds: Recent Methods and Biological Relevance

3,4-Dihydropyrimidin-2(1H)-ones (DHPMs), synthesized via the classic Biginelli condensation, have emerged as pivotal heterocyclic frameworks with broad medicinal and synthetic relevance. Their intrinsic versatility enables downstream transformations that furnish a diverse spectrum of novel scaffolds. Although multi...

Muhammad Waris Ayub, H. Y. Gondal, A. Akram et al. · 0 citations
Review Open access Sep 2026

Indium Phosphide Quantum Dots for Near‐Infrared Luminescence‐Based Bioimaging and Theranostics: From Photophysical Design to Clinical Translation

Indium phosphide (InP) quantum dots (QDs) have emerged as promising cadmium‐free luminescent nanomaterials for near‐infrared (NIR) bioimaging and theranostic applications owing to their tunable optical properties, photostability, and improved biocompatibility. This review highlights recent advances in the photophysical...

Mohamed Abu Shuheil, Magdi E. A. Zaki, Maharshi B. Shukla et al. · 0 citations
Review Sep 2026

Unraveling Dynamic Disorder in Metal Halide Perovskite Quantum Dots: Atomistic Insights Into Structure–Carrier Coupling From Ab Initio and Nonadiabatic Simulations

Metal–halide perovskite quantum dots (PQDs) have emerged as highly dynamic nanoscale semiconductors whose optoelectronic properties are governed by a complex interplay of lattice fluctuations, electronic excitation processes, and surface‐mediated interactions. This review provides a comprehensive atomistic perspectiv...

Ghada Al-Assi, Magdi E. A. Zaki, Maharshi B. Shukla et al. · 0 citations
Open access Aug 2026

Discovery of 4-aminochalcone-based dual α-glucosidase and aldose reductase inhibitors: in vitro, in vivo, and in silico studies

Diabetes mellitus is a chronic metabolic disorder associated with persistent hyperglycemia and the development of numerous secondary complications. In the present study, a series of 4-aminochalcone derivatives (1N–10N) were synthesized and evaluated as potential dual inhibitors of α-glucosidase and aldose reductase usi...

E. Mughal, Nafeesa Naeem, Songül Bayrak et al. · 0 citations
Open access Jan 2026

Comparative and Subtractive Genomics Analysis of Multidrug‐Resistant Klebsiella pneumoniae Strains for Novel Target Identification and Drug Repurposing Strategies

The rapid rise of multidrug‐resistant (MDR) Klebsiella pneumoniae has created a major global health challenge due to the limited availability of conserved therapeutic targets effective across diverse resistant strains. In this study, an integrative computational target‐discovery and drug‐repurposing framework was appli...

Manasi Bora, Prokriti Paul, S. Rajkhowa et al. · 0 citations
Open access Sep 2026

Design, synthesis, and computational assessment of bis‑oxadiazole ligands targeting α-amylase and α-glucosidase: DFT, docking, and ADME studies.

The combined experimental and computational results demonstrate significant structure-activity relationships within the bis-oxadiazole scaffold, identifying compound 10 as a promising lead candidate for further optimization as a dual enzyme inhibitor for diabetes management.

Shoaib Khan, Tayyiaba Iqbal, B. N. Murtaza et al. · 0 citations
Open access Jul 2026

Design, synthesis and DFT analysis of a highly selective chromenylium based fluorescent probe for cellular imaging and selective detection of sulfite ions

Sulfite (SO32−) is a significant analyte that is frequently employed as a food and beverage sector preservative but its excessive consumption might lead to negative health effects. Therefore, it is important to develop ultra-sensitive and ultra-selective sulfite detection methods. Herein, we demonstrate the design, syn...

Kazma Batool, T. Al-Warhi, A. Şenol et al. · 1 citation

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