Ha Xuan Nguyen

Exploring Potential EGFR Inhibitors from Isodon Serra Phytochemicals: Molecular Docking, Dynamics, and ADMET Analysis

The human epidermal growth factor receptor (EGFR), a key oncogenic driver in various cancers, particularly non‐small cell lung cancer (NSCLC), was selected as the molecular target for this investigation. A validated molecular docking protocol was employed using AutoDock Vina, with re‐docking of the co‐crystallized...

Synthesis of 3,4-dihydropyrimidin-2(1 H)-thione derivatives in triethylammonium hydrogen sulfate ionic liquid, cytotoxic evaluation and computational studies

Bioactive compounds from Beilschmiedia percoriacea leaves: isolation, structural characterization, and biological evaluations

Molecular docking studies demonstrated that these bioactive compounds exhibit favorable binding affinities toward COX-2, XO, α-glucosidase, and Keap1, supporting their potential anti-inflammatory, antioxidant, antidiabetic, and anti-gout activities.

Exploring glycopentamides from Glycosmis pentaphylla as CDK4 inhibitors: a computational study

Findings identify glycopentamide B as the most promising CDK4-binding candidate among the investigated compounds and support its further evaluation as a potential anticancer lead.