Electronic structure, topological analysis, molecular docking and ADMET of a bioactive flavonoid glycoside from Dicranopteris linearis
Year: 2026
Type: article
Abstract: = 22.5 µM) and exploratory docking against human maltase-glucoamylase (MGAM; PDB ID: 3TOP), suggested preliminary binding poses involving key pocket residues and complementary hydrogen-bonding, π-mediated, and hydrophobic contacts. The electronic features identified computationally provide an electronic framework for interpreting the experimentally reported α-glucosidase inhibitory activity. ADMET profiling additionally indicated limited passive permeability and negligible predicted CNS exposure.
Source: RSC Advances
DOI: 10.1039/d6ra08672a
Author: Ky A. Do
Institution: Ho Chi Minh City University of Education
Language: English
Subfield: Drug Discovery
Domain: Life Sciences
Open Access status: gold
Estimated APC paid: $1,042
OpenAlex ID: W7225290745