Potential neuroprotective flavonoid-based inhibitors of CDK5/p25 from Rhus parviflora |
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Authors: | Sabina Shrestha Sathishkumar Natarajan Ji-Hae Park Dae-Young Lee Jin-Gyeong Cho Geum-Soog Kim Yong-Jin Jeon Seung-Woo Yeon Deok-Chun Yang Nam-In Baek |
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Affiliation: | 1. Graduate School of Biotechnology, Institute of Life Sciences and Resources, Kyung Hee University, Yongin 446-701, Republic of Korea;2. Korean Ginseng Center and Ginseng Genetic Resource Bank, Kyung Hee University, Yongin 446-701, Republic of Korea;3. Department of Medicinal Crop Research, National Institute of Horticultural and Herbal Science, Rural Development Administration, Eumseong 369-873, Republic of Korea;4. Ildong Research Laboratories, Ildong Pharmaceutical Co., Ltd, Yongin 445-170, Republic of Korea |
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Abstract: | Rhus parviflora (Anacardiaceae) is an indigenous medicinal shrub found in South Asia with flavonoid rich edible fruit. This study examined flavonoid derivatives of R. parviflora fruit with CDK5/p25 inhibition activity. Evaluation by in vitro assay and docking simulations for CDK5/p25 revealed that the aurones, sulfuretin (1) and aureusidin (2), the aurone glycoside, aureusidin-6-O-β-d-glucopyranoside (3) and hovetrichoside C (4), the flavonoid glycoside, quercetin-3-O-β-d-galactopyranoside (5), and the biflavonoid, cupressuflavone (6), had the potential to inhibit CDK5/p25, which could be useful in the treatment of neurodegenerative disorders such as Alzheimer’s disease. Compound2 showed the significant in vitro inhibition capacity (IC50 value of 4.81 μM) as well as binding affinity with docking energy of ?8.73 (kcal/mol) for active sites CYS83 and GLN130 of CDK5/p25 enzyme in comparison to reference compound R-roscovitine. |
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Keywords: | Alzheimer’s disease Aureusidin CDK5/p25 Molecular docking |
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