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.

The potential of integrating computational approaches with natural product screening to identify novel therapeutic strategies for TNBC is highlighted and PSMB2 is identified as the most robust core gene associated with TNBC.

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.