Next Article in Journal
New Coordination Complexes Based on the 2,6-bis[1-(Phenylimino)ethyl] Pyridine Ligand: Effective Catalysts for the Synthesis of Propylene Carbonates from Carbon Dioxide and Epoxides
Next Article in Special Issue
An Algorithm for Computing Side Chain Conformational Variations of a Protein Tunnel/Channel
Previous Article in Journal
Dietary Natural N-Acetyl-d-Glucosamine Prevents Bone Loss in Ovariectomized Rat Model of Postmenopausal Osteoporosis
Previous Article in Special Issue
A New Method for Recognizing Cytokines Based on Feature Combination and a Support Vector Machine Classifier
Article Menu
Issue 9 (September) cover image

Export Article

Open AccessReview
Molecules 2018, 23(9), 2303;

Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs

School of Computer and Information Engineering, Harbin University of Commerce, Harbin 150028, China
Life Sciences and Environmental Sciences Development Center, Harbin University of Commerce, Harbin 150010, China
College of Tourism and Landscape Architecture, Guilin University of Technology, Guilin 541001, China
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]   |  


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

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Share & Cite This Article

MDPI and ACS Style

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.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top