The IPB has once again been recognized for its exemplary actions in terms of equal opportunity-oriented personnel and organizational policies and has received the TOTAL E-QUALITY certification for the…
The Plant Science Student Conference (PSSC) has been organised by students from the two Leibniz institutes, IPK and IPB, every year for the last 20 years. In this interview, Christina Wäsch (IPK) and…
Ha, N. X.; Huong, T. T.; Khanh, P. N.; Hung, N. P.; Loc, V. T.; Ha, V. T.; Quynh, D. T.; Nghi, D. H.; Hai, P.-T.; Scarlett, C. J.; Wessjohann, L. A.; Cuong, N. M.;In vitro and in silico study of new biscoumarin glycosides from Paramignya trimera against Angiotensin-converting enzyme 2 (ACE-2) for preventing SARS-CoV-2 infectionChemical and Pharmaceutical Bulletin72574–583(2024)DOI: 10.1248/cpb.c23-00844
In Vietnam, the stems and roots of the Rutaceous plant Paramignya trimera (Oliv.) Burkill (known locally as “Xáo tam phân”) are widely used to treat liver diseases such as viral hepatitis and acute and chronic cirrhosis. In an effort to search for Vietnamese natural compounds capable of inhibiting coronavirus based on molecular docking screening, two new dimeric coumarin glycosides, namely cis-paratrimerin B (1) and cis-paratrimerin A (2), and two previously identified coumarins, the trans-isomers paratrimerin B (3) and paratrimerin A (4), were isolated from the roots of P. trimera and tested for their anti-ACE-2 inhibitory properties in vitro. It was discovered that ACE-2 enzyme was inhibited by cis-paratrimerin B (1), cis-paratrimerin A (2), and trans-paratrimerin B (3), with IC50 values of 28.9, 68, and 77 μM, respectively. Docking simulations revealed that four biscoumarin glycosides had good binding energies (ΔG values ranging from −10.6 to −14.7 kcal/mol) and mostly bound to the S1′ subsite of the ACE-2 protein. The key interactions of these natural ligands include metal chelation with zinc ions and multiple H-bonds with Ser128, Glu145, His345, Lys363, Thr371, Glu406, and Tyr803. Our findings demonstrated that biscoumarin glycosides from P. trimera roots occur naturally in both cis- and trans- diastereomeric forms. The biscoumarin glycosides Lys363, Thr371, Glu406, and Tyr803. Our findings demonstrated that biscoumarin glycosides from P. trimera roots hold potential for further studies as natural ACE-2 inhibitors for preventing SARS-CoV-2 infection.