Work

Insights into cytotoxic, metastasis-related effects and α-glucosidase inhibitory activities of the n -hexane extract and two isolated triterpenoids from Gymnosporia chevalieri leaves

Year: 2026

Type: article

Abstract: . The 100 ns MD simulations indicated that all six protein-ligand (GC3, GC14) complexes maintained overall structural stability. GC14 exhibited greater internal conformational flexibility than GC3 but remained within relatively narrow conformational ranges. MM/GBSA analysis revealed target-dependent relative energetic trends. Overall, these findings provide preliminary evidence of the biological activities of GCL, GC3, and GC14, warranting further investigation of their effects and, particularly for GC14, its selectivity toward cancer cells.

Source: RSC Advances

DOI: 10.1039/d6ra07849d

Authors: Nghia Ai Thi Doan, The-Huan Tran, Natsaranyatron Singharajkomron, Varisa Pongrakhananon, Chanon Loha, Krittapat Prachatimutte, Hien Minh Nguyen, Hanh Nhu Thi Hoang, Ty Viet Pham, Hoai Thi Nguyen, Linh Thuy Khanh Nguyen, Duc Viet Ho

Institutions: University of Medicine and Pharmacy at Ho Chi Minh City, Huế University of Medicine and Pharmacy, Chulalongkorn University, Ton Duc Thang University, Hue University of Agriculture and Forestry, Hue University of Education

Language: English

Topic: Natural product bioactivities and synthesis

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

Funders: National Foundation for Science and Technology Development, Chulalongkorn University, Đại học Huế

Awards: G3255567978, G6932656983, Nghiên cứu phát hiện các chất kháng ung thư và kháng viêm tiềm năng từ chi Gymnosporia ở Việt Nam

OpenAlex ID: W7224775654

FWCI:

Cites: 33

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Related to: 10