In vitro and in silico inhibitory activity of angiotensin-converting enzyme 2 (ACE-2) and anti-inflammatory effects of natural componds from Rheum officinale roots

Pham Ngoc  Khanh; Tran Thu Huong; Nguyen Xuan Ha; Hoang Thi Ngoc Anh; Vu Thanh Loc; Do Huu Nghi; Do Thi Thao; Trinh Thi Thu Ha; Nguyen Phi Hung; Vu Thi Ha; Ludger A. Wessjohann; Nguyen Manh Cuong

doi:10.15625/2525-2518/18989

Author affiliations

Authors

Pham Ngoc Khanh Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam https://orcid.org/0000-0003-4237-7407
Tran Thu Huong Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam
Nguyen Xuan Ha Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam
Hoang Thi Ngoc Anh Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam
Vu Thanh Loc Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam https://orcid.org/0009-0004-5698-4050
Do Huu Nghi Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam https://orcid.org/0000-0002-6272-0922
Do Thi Thao Institute of Biotechnology (IBT), Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam https://orcid.org/0000-0002-8760-264X
Trinh Thi Thu Ha Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam
Nguyen Phi Hung Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam
Vu THi Ha Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet, Cau Giay, Ha Noi, Viet Nam
Ludger A. Wessjohann Leibniz Institute of Plant Biochemistry (IPB) Weinberg 3 - D-06120 Halle (Saale) - Germany https://orcid.org/0000-0003-2060-8235
Nguyen Manh Cuong Natural Products SectionVietnam Journal of Science and Technology, 18 Hoang Quoc Viet Rd., Cau Giay, Ha Noi, Viet Nam

DOI:

https://doi.org/10.15625/2525-2518/18989

Keywords:

Rhubarb, Rheum officinale, rhaponticin, emodin, Rhubarb, Rheum officinale, rhapontigenin, emodin, ACE-2.

Abstract

Rhubarb roots (Rheum officinale), a common medicinal plant in folk remedies, and their chemical compositions were investigated for their inhibitory activity of angiotensin-converting enzyme II and anti-inflammatory effects by inhibiting NO production and IL-6 expression. Four natural compounds, including two anthraquinones, chrysophanol (2) and emodin (3), and two stilbenes, rhapontigenin (1) and trans-piceatannol (4), were isolated from the roots of Rhubarb. The results showed that rhapontigenin (1) exhibited an inhibitory effect on the ACE-2 enzyme with an IC₅₀ value of 132 mM. In an in silico study, rhapotigenin (1) had a binding energy value of -9.32 kcal/mol, lower than MLN-4760, on ACE-2. Both rhapontigenin (1) and emodin (3) exhibited inhibitory activity on NO production in primary cultures of macrophages RAW264.7, with IC₅₀ values ranging from 5.65 to 32.3 µg/mL. This is the first study of the anti-ACE-2 and anti-inflammatory activity of Rhubarb root extract and its constituents.

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