Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms

doi:10.2174/1570180815666180803111902

CASIA OpenIR > 多模态人工智能系统全国重点实验室 > 深度强化学习

	Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms
	Zhao, Yuhao 1; Pang, Xiaokun 1; Nepal, Akriti 2; Jiang, Xincan 1; Xu, Xiaoxin 3; Zhao, Dongbin4 ; Murtaza, Ghulam 4,5; Ma, Yanxu 6
发表期刊	LETTERS IN DRUG DESIGN & DISCOVERY
ISSN	1570-1808
	2020
卷号	17 期号:5 页码:556-562
通讯作者	Murtaza, Ghulam(gmdogar356@gmail.com) ; Ma, Yanxu(yanxumabjtcm@126.com)
摘要	Background: Biological system complexity impedes the drug target identification by biological experiments. Thus drugs, rather than acting on target site only, can interact with the entire biological system. Study of this phenomenon, known as network pharmacology, provides grounds for biological target identification of new drugs or acts as a foundation for the discovery of new targets of present drugs. No publication is available on the interaction network of CAPE. Aim: This study was aimed at the investigation of the candidate targets and possible interactions of caffeic acid phenethyl ester (CAPE) involved in its osteoimmunological effects. Methods: This study encompasses the investigation of candidate targets and possible interactions of CAPE by analyzing through PASS Prediction and constructing a biological network of CAPE. Results: In response to input (CAPE), PASS Prediction generated a network of 1723 targets. While selecting the probability to be active (Pa) value greater than 0.7 brought forth only 27 targets for CAPE. Most of these targets predicted the therapeutic role of CAPE as an osteoimmunological agent. Apart from this, this network pharmacology also identified 10 potential anti-cancer targets for CAPE, out of which 7 targets have been used efficiently in developing potent osteoimmunological drugs. Conclusion: This study provides scientific prediction of the mechanisms involved in osteoimmunological effects of CAPE, presenting its promising use in the development of a natural therapeutic agent for the pharmaceutical industry. CAPE targets identified by web-based online databases and network pharmacology need additional in silico assessment such as docking and MD simulation studies and experimental verification to authenticate these results.
关键词	Drug target drug-protein interaction in silico prediction osteoimmunological PASS prediction CAPE
DOI	10.2174/1570180815666180803111902
关键词[WOS]	NITRIC-OXIDE SYNTHASE ; BIOLOGICAL-ACTIVITIES ; ENZYMATIC-SYNTHESIS ; BONE-MARROW ; PROPOLIS ; CELLS ; EXPRESSION ; GROWTH ; CAPE
收录类别	SCI
语种	英语
资助项目	Pre-study of Beijing traditional Chinese medicine big data center, Chinese Academy of Sciences (CAS), China[2016PT009] ; President's International Fellowship Initiative (PIFI), Chinese Academy of Sciences (CAS), China[2016PT009]
项目资助者	Pre-study of Beijing traditional Chinese medicine big data center, Chinese Academy of Sciences (CAS), China ; President's International Fellowship Initiative (PIFI), Chinese Academy of Sciences (CAS), China
WOS研究方向	Pharmacology & Pharmacy
WOS类目	Chemistry, Medicinal
WOS记录号	WOS:000534606200005
出版者	BENTHAM SCIENCE PUBL LTD
七大方向——子方向分类	强化与进化学习
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.ia.ac.cn/handle/173211/39525
专题	多模态人工智能系统全国重点实验室_深度强化学习
通讯作者	Murtaza, Ghulam; Ma, Yanxu
作者单位	1.Capital Med Univ, Sch Tradit Chinese Med, Beijing 100069, Peoples R China 2.China Pharmaceut Univ, Sch Basic Med & Clin Pharm, Dept Pharmacol, Nanjing 211198, Peoples R China 3.Beijing Univ Chinese Med, Informat Ctr, Beijing 100029, Peoples R China 4.Chinese Acad Sci, Inst Automat, Beijing, Peoples R China 5.COMSATS Univ Islamabad CUI, Dept Pharm, Lahore Campus, Lahore, Punjab, Pakistan 6.Capital Med Univ, Beijing Tradit Chinese Med Hosp, Dept Orthoped, Beijing 100010, Peoples R China
通讯作者单位	中国科学院自动化研究所
推荐引用方式 GB/T 7714	Zhao, Yuhao,Pang, Xiaokun,Nepal, Akriti,et al. Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms[J]. LETTERS IN DRUG DESIGN & DISCOVERY,2020,17(5):556-562.
APA	Zhao, Yuhao.,Pang, Xiaokun.,Nepal, Akriti.,Jiang, Xincan.,Xu, Xiaoxin.,...&Ma, Yanxu.(2020).Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms.LETTERS IN DRUG DESIGN & DISCOVERY,17(5),556-562.
MLA	Zhao, Yuhao,et al."Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms".LETTERS IN DRUG DESIGN & DISCOVERY 17.5(2020):556-562.