H. Nguyen

Network Pharmacology and Molecular Simulation Reveal Lactandrate Targeting PARP1 in Colorectal Cancer

Multi-tiered in silico evaluation identifies Sarsasapogenin as a promising ERα-targeted phytochemical against breast cancer.

Predicted phase-I hydroxylation does not abolish ERα engagement, which argues for evaluating biotransformation products alongside the parent compound in computational screening of plant sapogenins.

In silico exploration of anti-lung cancer activity of selected steroidal saponins via anti-apoptotic pathway

Ophiopogonin C’ satisfies all the pharmacokinetic criteria, which are non-toxic, have superior distribution capacity and have high absorption, serving as a promising candidate for the development of future drugs to treat human lung cancer.

Mechanistic insights into daidzin from Glycine max against breast cancer via network pharmacology and multi-level molecular modeling

An integrated in silico strategy combining network pharmacology and molecular modeling is used to prioritize daidzin targets and validate key interactions, with sirtinol as a reference compound, and prioritize a daidzin-MMP9 axis for experimental validation.

Computational modeling of selected phytochemicals from Reevesia formosana: mechanistic insights into their potential against lung cancer

Integrated modeling prioritizes CPD1 as a Bcl-2-targeting scaffold for lung cancer-relevant studies, supporting structure-guided optimization and experimental verification.