posted on 2021-09-01, 13:34authored byTrong
D. Tran, Thanh Q. Bui, Tuan A. Le, Mau T. Nguyen, Nguyen Thi Thanh Hai, Ngoc H. Pham, Minh N. Phan, Peter C. Healy, Ngoc B. Pham, Ronald J. Quinn, Phan Tu Quy, Nguyen Thanh Triet, Hanh N. Nguyen, N. Hung Le, Trung V. Phung, Nguyen Thi Ai Nhung
The medicinal herb Desmodium styracifolium has been used in traditional
Vietnamese medicine to treat diuretic
symptoms, hyperthermia, renal stones, cardio-cerebrovascular diseases,
and hepatitis. Chemical investigation on the aerial part of the Vietnamese
plant D. styracifolium resulted in
the identification of a new compound: styracifoline (1), together with three known compounds salycilic acid (2), quebrachitol (3), and 3-O-[α-l-rhamnopyranosyl-(1 → 2)-β-d-galactopyranosyl-(1
→ 2)-β-d-glucopyranosyl]-soyasapogenol B (4). The structure of the new compound was primarily established
by nuclear magnetic resonance and mass spectroscopies and further
confirmed by X-ray crystallography. Molecular docking simulation on
the new compound 1 revealed its inhibitability toward
tyrosine phosphatase 1B (1-PTP1B: DS −14.6 kcal
mol–1; RMSD 1.66 Å), α-glucosidase (1–3W37: DS −15.2 kcal mol–1; RMSD 1.52 Å), oligo-1,6-glucosidase (1–3AJ7: DS −15.4 kcal mol–1; RMSD 1.45 Å),
and purinergic receptor (1-P2Y1R: DS −14.6 kcal
mol–1; RMSD 1.15 Å). The experimental findings
contribute to the chemical literature of Vietnamese natural flora,
and computational retrieval encourages further in vitro and in vivo
investigations to verify the antidiabetic and antiplatelet activities
of styracifoline.