통합자연과학논문집 (Journal of Integrative Natural Science)

조선대학교 기초과학연구원 (The Basic Science Institute Chosun University)
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Docking Study of Corticotropin-Releasing Factor-1 Receptor with Its Antagonists

  • Babu, Sathya (Molecular modeling lab, Department of Genetic Engineering, School of Bioengineering, SRM University)
  • 투고 : 2018.01.22
  • 심사 : 2018.03.25
  • 발행 : 2018.03.30
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초록

CRFR is involved in the pathophysiology of various disorders including depression, stress, anxiety, post-traumatic stress disorder, and addiction. The discovery of novel and structurally diverse CRF1 receptor inhibitors becomes essential. In this study, we have performed molecular docking of CRF1R with the derivatives of 8-substituted-2-aryl-5-alkylaminoquinolines as CRF1R inhibitors. The antagonist molecules were optimized and docked into the binding site of the receptor. On analysing the docked complexes we have identified that the residues HIS214, THR215, ARG227, ARG1008, LYS1060 and ASP1061 are important in forming hydrogen bond with the inhibitors. Further studies on these residues could reveal important structural features required for the formation of CRF1R-inhibitor complex and thus in the discovery of novel and potent inhibitors.

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참고문헌

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피인용 문헌

  1. Hologram Based QSAR Analysis of Caspase-3 Inhibitors vol.11, pp.2, 2018, https://doi.org/10.13160/ricns.2018.11.2.93