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    Please use this identifier to cite or link to this item: http://asiair.asia.edu.tw/ir/handle/310904400/81278


    Title: A possible solution for hair loss by inhibiting corticotropin-releasing factor (CRF) receptor from traditional Chinese medicine
    Authors: 陳語謙;Hung-Jin Huang
    Contributors: 生物與醫學資訊學系
    Keywords: alopecia;corticotropin-releasing factor;docking;molecular dynamics;traditional Chinese medicine
    Date: 2014-07
    Issue Date: 2014-10-08 13:57:05 (UTC+8)
    Abstract: Corticotropin-releasing factor (CRF) and corticotropin-releasing factor receptor (CRFR) play important roles in stress response, including anxiety and depression syndrome. The CRF expression also relates to chronic stress-related hair loss. This study utilizes the world's largest traditional Chinese medicine (TCM) database and molecular dynamics (MD) simulations to investigate novel CRFR inhibitors for treatment of alopecia. The docking and screening from TCM database results indicate the vitamin B2, 3 beta-isodihydrocadambine, and caribine display higher binding affinity than maltose in maltose binding protein (MBP). However, the results of MD simulation shows the caribine-facilitated CRFR approach closer to MBP, the 3D structure conformation of MBP and CRFR complex forms compact structure. Interestingly, the distance between the two proteins is reducing significantly after caribine dock into MBP binding site. Beside, from Ligand channel analysis, the paths of caribine demonstrate that residence time is increased in binding pocket. Hence, our finding suggests that caribine might be a potential lead compound to stimulate MBP and CRFR interaction, and help for baldless therapy in further study.
    Relation: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS;32(10):1613-23.
    Appears in Collections:[生物資訊與醫學工程學系 ] 期刊論文

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