Fahad M. Alshabrmi

Molecular Design of Novel mRNA and Multiepitope Subunit Vaccines for H10N5 Avian Influenza A virus

Design, synthesis, spectroscopic characterization, bioactivity evaluation, and computational insight of sulfachloropyridazine-based Schiff bases

A series of five novel Schiff bases (SBs) was synthesized via condensation of substituted aryl aldehydes with sulfachloropyridazine (SCPZ) and fully characterized by UV-Vis, FTIR, 1H/13C NMR, and CHNS elemental analyses. Experimental vibrational frequencies showed good agreement with density functional theory (DFT) cal...

Integrative systems biology identifies PSMB2 as a core oxidative stress-associated target in triple-negative breast cancer.

Structure‐Based Discovery of Fumiquinazolines as Skp2–Cks1 Protein–Protein Interaction Disruptors: Mechanistic Computational Insights and Experimental Validation

Findings identify Fumiquinazoline D as an early‐stage biochemical hit for disruption of the Skp2–Cks1 interaction and as a potential scaffold for further mechanistic validation and medicinal‐chemistry investigation.

Elucidation of HSP90AA1-directed therapeutic mechanisms of Semecarpus anacardium phytocomponents in brain tumors via network pharmacology, target interactome mapping, and molecular simulation analyses

This multi-layered computational investigation suggests that S. anacardium contains phytochemicals with computationally predicted interactions targeting HSP90AA1-associated pathways implicated in brain tumors, and identifies HSP90AA1 as a putative target for future experimental investigation for natural product-guided...

Structure-based discovery of diphenylpyrazines as disruptors of the Skp2–Cks1 protein–protein interaction: computational insights and biochemical validation

Findings validate the diphenylpyrazine scaffold as a promising chemotype for Skp2–Cks1 inhibition and identify C3 as a strong lead for further optimization.