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Network pharmacological analysis for identifying herbal medicine candidate for cerebral infarction focusing on Gardeniae Fructus

뇌경색 전임상 연구 후보 약재 선정을 위한 네트워크 약리학 분석법의 활용과 치자(梔子)의 적용 가능성 검토

  • Jung Joohyun (School of Korean Medicine, Pusan National University) ;
  • Park Heejun (School of Korean Medicine, Pusan National University) ;
  • Lim Sehyun (School of Public Health, Far East University) ;
  • Cho Suin (School of Korean Medicine, Pusan National University)
  • 정주현 (부산대학교 한의학전문대학원) ;
  • 박희준 (부산대학교 한의학전문대학원) ;
  • 임세현 (극동대학교 의료보건과학대학) ;
  • 조수인 (부산대학교 한의학전문대학원)
  • Received : 2023.05.30
  • Accepted : 2023.08.18
  • Published : 2023.08.31

Abstract

Objectives : This study aimed to select candidate herbal medicines to be used in preclinical studies of cerebral infarction using the network pharmacology research method. Methods : Oral bioavailability (OB), drug likeness (DL), Caco-2, and blood-brain barrier (BBB) permeability were employed in this study's network pharmacology analysis method to choose compounds with potential efficacy. The following formulas were utilized for the values of each variable used in this study: OB ≥ 20%, DL ≥ 0.18, Caco-2 ≥ 0, and BBB ≥ -0.3. The relationships between target proteins and diseases that are assumed to be involved in the chosen bioavailable chemicals were built in a network manner using the aforementioned factors, and proteins thought to play a significant role were identified. Results : Sudan III was obtained as a result of selecting compounds related to ischemic stroke in consideration of pharmacokinetic characteristics such as digestion and absorption and practicality using the TCMSP database. Medicinal herbs Gardeniae Fructus (GF) contains sudan III, and it was confirmed that compounds in GF were highly related to brain diseases, and the mechanism involved through the KEGG pathway was confirmed. GF, which has sudan III related to ischemic stroke and is also involved in other neurological diseases, is expected to be used for ischemic stroke treatment. Conclusions : GF has been predicted to have potential for ischemic stroke treatment, and can be used for future preclinical studies.

Keywords

Acknowledgement

이 성과는 정부(과학기술보통신부)의 재원으로 한국연구재단의 지원을 받아 수행된 연구임(No. 2021R1F1A1047437).

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