Literature DB >> 32687354

NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods.

Zengrui Wu1, Yayuan Peng1, Zhuohang Yu1, Weihua Li1, Guixia Liu1, Yun Tang1.   

Abstract

In this study, we developed a web server named NetInfer for prediction of targets and therapeutic and adverse effects via network-based inference methods. Compared with our previously developed standalone version of NetInfer, this web server provides a user-friendly interface. With the web server, users can easily predict potential target proteins, microRNAs, Anatomical Therapeutic Chemical (ATC) classification codes, or adverse drug events for small molecules of their interests in a few steps. Most of the prediction models were constructed on the basis of our previous studies, where those models have been evaluated systematically and demonstrated high performance. The high-quality models can generate accurate predictions. As a case study, we predicted ATC codes and target proteins for several drugs. The predicted therapeutic effects of these drugs on cardiovascular diseases and their potential molecular mechanisms were validated by the literature. This successful case study demonstrated that our web server would be a powerful tool in drug repositioning and systems pharmacology. The web server of NetInfer is freely available at http://lmmd.ecust.edu.cn/netinfer/.

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Year:  2020        PMID: 32687354     DOI: 10.1021/acs.jcim.0c00291

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  7 in total

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2.  Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches.

Authors:  Biting Wang; Zengrui Wu; Weihua Li; Guixia Liu; Yun Tang
Journal:  Chin Med       Date:  2021-07-23       Impact factor: 5.455

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Authors:  Zengrui Wu; Hui Ma; Zehui Liu; Lulu Zheng; Zhuohang Yu; Shuying Cao; Wenqing Fang; Lili Wu; Weihua Li; Guixia Liu; Jin Huang; Yun Tang
Journal:  Chem Sci       Date:  2021-12-21       Impact factor: 9.825

4.  Chemical Distance Measurement and System Pharmacology Approach Uncover the Novel Protective Effects of Biotransformed Ginsenoside C-Mc against UVB-Irradiated Photoaging.

Authors:  Xiao-Yi Liu; Hui Li; Eunson Hwang; Bom Park; Yong-Kun Xiao; Senmiao Liu; Jiansong Fang; Yeon-Ju Kim; Tae-Hoo Yi; Chuipu Cai
Journal:  Oxid Med Cell Longev       Date:  2022-02-09       Impact factor: 6.543

5.  Acetylenic Synthetic Betulin Derivatives Inhibit Akt and Erk Kinases Activity, Trigger Apoptosis and Suppress Proliferation of Neuroblastoma and Rhabdomyosarcoma Cell Lines.

Authors:  Sylwia K Król; Ewa Bębenek; Magdalena Dmoszyńska-Graniczka; Adrianna Sławińska-Brych; Stanisław Boryczka; Andrzej Stepulak
Journal:  Int J Mol Sci       Date:  2021-11-14       Impact factor: 5.923

6.  SuperPred 3.0: drug classification and target prediction-a machine learning approach.

Authors:  Kathleen Gallo; Andrean Goede; Robert Preissner; Bjoern-Oliver Gohlke
Journal:  Nucleic Acids Res       Date:  2022-05-07       Impact factor: 19.160

7.  Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body.

Authors:  Dmitry A Filimonov; Anastassia V Rudik; Alexander V Dmitriev; Vladimir V Poroikov
Journal:  Int J Mol Sci       Date:  2020-10-11       Impact factor: 5.923

  7 in total

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