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A. Alzahrani

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Aug 2026

Identification, Design and Computational Insights of Hybrid Thiadiazole Linked Fused Thiazole-Isoxazole as Potent Dual Inhibitor of AChE/BChE Alzheimer's Disease

Alzheimer’s disease (AD), involves progressive cognitive impairment primarily associated with cholinergic dysfunction. Dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) continue to represent a validated and clinically relevant therapeutic approach for alleviating cholinergic deficits in...

Y. Khan, Hina Sarfraz, Azmatullah Khan et al. · 0 citations
Open access Sep 2026

Synthesis, anti-proliferative evaluation, DFT, in silico ADME and molecular modeling studies of novel imidazolones as potential EGFR inhibitors

A series of novel bromophenyl-substituted imidazolone derivatives were synthesized from (Z)-4-(2-bromobenzylidene)-2-phenyloxazol-5(4H)-one through reactions with various nitrogen nucleophiles. The antiproliferative activities of the synthesized candidates were evaluated against HepG-2 (liver), MCF-7 (breast), and HCT-...

Mohamed H. Hekal, Mohamed Abdel-Megid, Mostafa E. Salem et al. · 0 citations
Aug 2026

Molecular‐Level Insights Into Solvent‐Dependent Interactions Governing the Solubility of Polyhydroxyalkanoates

Polyhydroxyalkanoates (PHA) are biodegradable alternatives to conventional plastics, as they can decompose without generating harmful residues, thereby addressing global plastic pollution. In this work, a molecular‐level understanding of solvent‐polymer interactions is achieved using Density Functional Theory (DFT). Th...

A. John, Sneha Anna Sunny, A. Y. Alzahrani et al. · 0 citations
Open access Aug 2026

New Polyurethane Biocomposites Based on Cellulosic Fibers: Effect of the Cellulose Content on the Composite Thermomechanical Properties

Two polyurethane (PU) matrices were synthesized using poly(ε‐caprolactone) diol and 4,4′‐diisocyanato dicyclohexylmethane using two different synthetic approaches. NMR and FTIR spectroscopy analysis ensured the chemical structure and the formation of the matrices. Thereafter, composite materials were prepared by in...

Ahmed Ramdani, T. Harit, Zoubida Aissaoui et al. · 0 citations
Open access Jul 2026

In-silico molecular design approach of some phytoconstituents from Nardostachys jatamansi as HIV/AIDS agents

The therapeutic relevance of N. jatamansi-derived compounds through in-silico evaluation as antiviral agents targeting HIV-1 reverse transcriptase is supported and warrant further in-vitro and in-vivo studies to explore their role as novel antiretroviral agents.

Mohammad Asif, Mazen M. Almehmadi, A. Alzahrani et al. · 0 citations
Open access Aug 2026

Rational design, synthesis, and antimicrobial evaluation of novel 1,2,3-triazole hybrids: structure–activity relationships, molecular docking, and DFT studies

The results suggest that the 2,4-dichlorophenyl–1,2,3-triazole scaffold represents a promising starting point for further optimization, with antimicrobial activity governed by a balance between electronic properties and physicochemical factors influencing membrane permeability.

Mohammed Sallam, A. Hassan, A. Y. Alzahrani et al. · 0 citations

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