| Autor: |
Oanh VT; Vessel-Organ Interaction Research Center, VOICE (MRC), College of Pharmacy, Kyungpook National University, Daegu, Republic of Korea.; Biotechnology Department, Vietnam - Korea Institute of Science and Technology, Thach Hoa, Thach That, Hanoi, Vietnam., Phong NV; Vessel-Organ Interaction Research Center, VOICE (MRC), College of Pharmacy, Kyungpook National University, Daegu, Republic of Korea.; BK21 FOUR Community-Based Intelligent Novel Drug Discovery Education Unit, College of Pharmacy and Research Institute of Pharmaceutical Sciences, Kyungpook National University, Daegu, Republic of Korea., Min BS; College of Pharmacy, Drug Research and Development Center, Daegu Catholic University, Gyeongbuk, Republic of Korea., Yang SY; Department of Pharmaceutical Engineering, Sangji University, Wonju, Republic of Korea., Kim JA; Vessel-Organ Interaction Research Center, VOICE (MRC), College of Pharmacy, Kyungpook National University, Daegu, Republic of Korea.; BK21 FOUR Community-Based Intelligent Novel Drug Discovery Education Unit, College of Pharmacy and Research Institute of Pharmaceutical Sciences, Kyungpook National University, Daegu, Republic of Korea. |
| Abstrakt: |
Two new neolignans, myrifralignans F-G ( 14 and 18 ), four new diarylnonanoid derivatives, myrifragranones A-D ( 21 - 24 ), and 18 known compounds were isolated and structurally elucidated from nutmeg ( Myristica fragrans Houtt.) seeds. The absolute configurations of these secondary metabolites were determined using the electronic circular dichroism technique. The inhibitory potential of these isolated compounds on soluble epoxide hydrolase (sEH) was investigated for the first time. Among them, malabaricones B and C ( 19 and 20 ) and four new compounds 21 - 24 displayed inhibitory activities against sEH, with IC 50 values ranging from 14.24 to 46.35 µM. Additionally, the binding mechanism, key binding interactions, stability, and dynamic behaviour of the active compounds with the sEH enzyme were analysed using in silico molecular docking and dynamics simulations. Our findings suggest that nutmeg could become a promising natural source for discovering and developing new sEH inhibitors. |
