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Molecules 2018, 23(9), 2303; https://doi.org/10.3390/molecules23092303

Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs

1
School of Computer and Information Engineering, Harbin University of Commerce, Harbin 150028, China
2
Life Sciences and Environmental Sciences Development Center, Harbin University of Commerce, Harbin 150010, China
3
College of Tourism and Landscape Architecture, Guilin University of Technology, Guilin 541001, China
4
School of Computer Science and Technology, Harbin Institute of Technology, Harbin 150001, China
*
Author to whom correspondence should be addressed.
Academic Editor: Quan Zou
Received: 12 August 2018 / Revised: 6 September 2018 / Accepted: 7 September 2018 / Published: 10 September 2018
(This article belongs to the Special Issue Computational Analysis for Protein Structure and Interaction)
Full-Text   |   PDF [749 KB, uploaded 10 September 2018]   |  

Abstract

Chinese herbal medicine has recently gained worldwide attention. The curative mechanism of Chinese herbal medicine is compared with that of western medicine at the molecular level. The treatment mechanism of most Chinese herbal medicines is still not clear. How do we integrate Chinese herbal medicine compounds with modern medicine? Chinese herbal medicine drug-like prediction method is particularly important. A growing number of Chinese herbal source compounds are now widely used as drug-like compound candidates. An important way for pharmaceutical companies to develop drugs is to discover potentially active compounds from related herbs in Chinese herbs. The methods for predicting the drug-like properties of Chinese herbal compounds include the virtual screening method, pharmacophore model method and machine learning method. In this paper, we focus on the prediction methods for the medicinal properties of Chinese herbal medicines. We analyze the advantages and disadvantages of the above three methods, and then introduce the specific steps of the virtual screening method. Finally, we present the prospect of the joint application of various methods. View Full-Text
Keywords: Chinese herbal compounds; drug-likeness; virtual screening; comparative study Chinese herbal compounds; drug-likeness; virtual screening; comparative study
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Han, K.; Zhang, L.; Wang, M.; Zhang, R.; Wang, C.; Zhang, C. Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs. Molecules 2018, 23, 2303.

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