Three new antinociceptive diterpenoids from the fruits of Rhododendron molle .
Ying-Ying ZhuYang-Lan LiuBing ChaiGuo-Zhu SuYang SongCheng-Yong TanYong LiShi-Shan YuPublished in: Journal of Asian natural products research (2024)
Investigation of the fruits of Rhododendron molle G. Don led to the isolation of three new grayanane-type diterpenoids, rhodomolleins LIV-LVI ( 1-3 ). The structures and absolute configurations of new compounds were fully elucidated by spectroscopic analysis and single-crystal X-ray diffraction, including HRESIMS, 1 D and 2 D NMR data. Compounds 1 - 3 were evaluated for analgesic activities utilizing an acetic acid-induced writhing test in mice. Compound 1 showed a significant antinociceptive effect with writhe inhibition rates of 72.9% and 100% at doses of 6 mg/kg and 20 mg/kg in mice, respectively. The binding mode of 1 to N -ethylmaleimide-sensitive factor (NSF, PDB: 6IP2) was explored by molecular docking, indicating the presence of hydrogen bond interactions which account for its analgesic activity.
Keyphrases
- molecular docking
- anti inflammatory
- high resolution
- molecular dynamics simulations
- high fat diet induced
- neuropathic pain
- magnetic resonance
- solid state
- type diabetes
- electronic health record
- big data
- insulin resistance
- spinal cord
- computed tomography
- dna binding
- transcription factor
- skeletal muscle
- artificial intelligence
- transition metal