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

文献类型：期刊论文

作者Zhao, Yuhao1; Pang, Xiaokun1; Nepal, Akriti2; Jiang, Xincan1; Xu, Xiaoxin3; Zhao, Dongbin4; Murtaza, Ghulam4,5; Ma, Yanxu6
刊名LETTERS IN DRUG DESIGN & DISCOVERY
出版日期2020
卷号17期号:5页码:556-562
关键词Drug target drug-protein interaction in silico prediction osteoimmunological PASS prediction CAPE
ISSN号1570-1808
DOI10.2174/1570180815666180803111902
通讯作者Murtaza, Ghulam(gmdogar356@gmail.com) ; Ma, Yanxu(yanxumabjtcm@126.com)
英文摘要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.
WOS关键词NITRIC-OXIDE SYNTHASE ; BIOLOGICAL-ACTIVITIES ; ENZYMATIC-SYNTHESIS ; BONE-MARROW ; PROPOLIS ; CELLS ; EXPRESSION ; GROWTH ; CAPE
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]
WOS研究方向Pharmacology & Pharmacy
语种英语
WOS记录号WOS:000534606200005
出版者BENTHAM SCIENCE PUBL LTD
资助机构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
源URL[http://ir.ia.ac.cn/handle/173211/39524]  
专题复杂系统管理与控制国家重点实验室_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
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.

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来源：自动化研究所

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