In silico molecular docking study and antihypertensive property of Gongronema latifolium Benth. ethanol leaf extract in dexamethasone-induced hypertension in Wistar rats


Okon I. A., Beshel J. A., AYTAR E. C., Owu D. U.

Phytomedicine Plus, cilt.5, sa.4, 2025 (Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 5 Sayı: 4
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.phyplu.2025.100892
  • Dergi Adı: Phytomedicine Plus
  • Derginin Tarandığı İndeksler: Scopus
  • Anahtar Kelimeler: Dexamethasone, Electrocardiograph, Gongronema latifolium, Hypertension, Lipid profile, Molecular docking
  • Uşak Üniversitesi Adresli: Evet

Özet

Background: The G. latifolium (GL) leaves are recognized in West Africa for its antihypertensive and antidiabetic properties. Its main active compounds are saponins and triterpenes, flavonoids. Although GL leaf extract is known for its antihypertensive effects, its effects using in vivo and in silico molecular study remains unclear. Purpose: Plant products have been used to manage hypertension. The purpose of this study is to validate the use of GL as antihypertensive agent. Study design: In vivo and in silico molecular study was carried out to ascertained the anti-hypertensive property of GL. Methods: Male Wistar rats were divided into 5 groups (n = 6). A model of hypertension was established by daily subcutaneous injection of dexamethasone (30 μg/kg body weight) while GL leaf extract was administered orally for 14 days. Blood pressure, electrocardiographic recording, lipid profile levels were observed. The UHPLC orbitrap MS analysis was used to identify the phytochemicals present. ADME screening, drug-likeness and cardiac toxicity evaluations of GL were performed using molecular docking studies targeting angiotensin-converting enzyme (PDB ID: 1O8A) and troponin I (PDB ID: 1A2X). Results: There was a significant increase in blood pressure, total cholesterol, triglyceride, low-density lipoprotein cholesterol, lipoprotein ratios, and decreased high-density lipoprotein cholesterol and alteration in electrocardiograph pattern in dexamethasone group compared with control. GL leaf extract reversed these changes significantly and had drug-likeness property. The binding energies were mainly hydrogen bonding range from −9.2 kcal/mol to −3.6 kcal/mol. Ebuloside (-9.2) and Kaempferol (-8.2) exhibited the strongest binding energies. Conclusion: It is concluded that GL has antihypertensive qualities with drug likeness effect due to its hypolipdemic property and phytochemicals constituents.