Author

A. Jamil

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Open access Jul 2026

Eco-Friendly Synthesis, Physicochemical Characterization, and In Vitro Biological Evaluation of Plant-Derived Bioactive-Loaded Chitosan Nanoparticles Supported by Molecular Modeling Studies

Silybum marianum (SM) is a rich source of flavonolignans with promising antioxidant and antidiabetic properties; however, its therapeutic application is limited by poor stability and bioavailability. This study combined experimental and computational approaches to develop and evaluate SM-loaded chitosan nanoparticles (...

Ajwa, F. Hussain, A. Jamil et al. · Molecules · 0 citations

Open access Aug 2026

The Activity of Antimicrobial Peptides (AMPs) Identified Via an Integrated in Silico and Pilot in Vitro Screening Approach Towards ESKAPE Pathogens.

A stability-centric computational discovery pipeline to identify and characterize novel antimicrobial peptides with potent and selective bactericidal activity against ESKAPE pathogens and to validate the lead candidates through experimental in vitro assays provided a generally applicable strategy for accelerating the d...

H. S. Mahrosh, M. Christodoulides, A. Jamil · Probiotics and Antimicrobial... · 0 citations

Open access Jul 2026

In silico discovery and interaction analysis of a Datura stramonium defensin-like peptide targeting cancer-related receptors.

Overall, the simulations indicate persistent peptide-receptor association and stable structural behavior of the complexes at the computational level, however, molecular docking and molecular dynamics simulations do not demonstrate functional inhibition of EGFR, ERBB2, or VEGFR-3, nor do they confirm anticancer efficacy...

Shehla Javaid, Zahid Mushtaq, A. Jamil et al. · Scientific Reports · 0 citations