Predicting hERG channel blockers with directed message passing neural networks-Reference-Cited by-同舟云学术

Predicting hERG channel blockers with directed message passing neural networks

Published:2022 Issue:6 Volume:12 Page:3423-3430
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Shan Mengyi¹,Jiang Chen¹²,Chen Jing¹³,Qin Lu-Ping¹,Qin Jiang-Jiang⁴,Cheng Gang¹^ORCID

Affiliation:

1. College of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, People's Republic of China

2. Hangzhou Jingchun Trading Co., Ltd., China

3. College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, PR China

4. The Cancer Hospital of the University of Chinese Academy of Sciences, Zhejiang Cancer Hospital, Institute of Basic Medicine and Cancer (IBMC), Chinese Academy of Sciences, Hangzhou 310022, China

Abstract

Compounds with human ether-à-go-go related gene (hERG) blockade activity may cause severe cardiotoxicity.

Funder

National Key Research and Development Program of China

Zhejiang Chinese Medical University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D1RA07956E

Reference49 articles.

1. A mechanistic link between an inherited and an acquird cardiac arrthytmia: HERG encodes the IKr potassium channel

2. hERG potassium channels and cardiac arrhythmia

3. Block of HERG Potassium Channels by the Antihistamine Astemizole and its Metabolites Desmethylastemizole and Norastemizole

4. HERG, a Primary Human Ventricular Target of the Nonsedating Antihistamine Terfenadine

5. A mechanism for the proarrhythmic effects of cisapride (Propulsid): high affinity blockade of the human cardiac potassium channel HERG

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability;2024-09-10

2. In silico drug discovery: a machine learning-driven systematic review;Medicinal Chemistry Research;2024-06-15

3. Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention;Journal of Chemical Information and Modeling;2024-06-07

4. Advancing Drug Safety in Drug Development: Bridging Computational Predictions for Enhanced Toxicity Prediction;Chemical Research in Toxicology;2024-05-17

5. Role of Artificial Intelligence in Revolutionizing Drug Discovery;Fundamental Research;2024-05