뇌경색 전임상 연구 후보 약재 선정을 위한 네트워크 약리학 분석법의 활용과 梔子의 적용 가능성 검토 (Network pharmacological analysis for identifying herbal medicine candidate for cerebral infarction focusing on Gardeniae Fructus)

서지정보

· 발행기관 : 대한한의학방제학회
· 수록지 정보 : 대한한의학 방제학회지 / 31권 / 3호 / 145 ~ 156페이지
· 저자명 : 정주현, 박희준, 임세현, 조수인

초록

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.

영어초록

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.

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