Machine Learning-Based Drug Repositioning of Novel Janus Kinase 2 Inhibitors Utilizing Molecular Docking and Molecular Dynamic Simulation-Reference-Cited by-同舟云学术

Machine Learning-Based Drug Repositioning of Novel Janus Kinase 2 Inhibitors Utilizing Molecular Docking and Molecular Dynamic Simulation

Published:2023-10-31 Issue:21 Volume:63 Page:6487-6500
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Yasir Muhammad¹,Park Jinyoung¹,Han Eun-Taek²,Park Won Sun³,Han Jin-Hee²,Kwon Yong-Soo⁴,Lee Hee-Jae¹,Chun Wanjoo¹^ORCID

Affiliation:

1. Department of Pharmacology, Kangwon National University School of Medicine, Chuncheon 24341, Republic of Korea

2. Department of Medical Environmental Biology and Tropical Medicine, Kangwon National University School of Medicine, Chuncheon 24341, Republic of Korea

3. Department of Physiology, Kangwon National University School of Medicine, Chuncheon 24341, Republic of Korea

4. College of Pharmacy, Kangwon National University School of Medicine, Chuncheon 24341, Republic of Korea

Funder

National Research Foundation of Korea

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01090

Reference40 articles.

1. Drug repositioning: a brief overview

2. Drug repurposing: a promising tool to accelerate the drug discovery process

3. Janus kinase–signal transducers and activators of transcription cell signaling in Spondyloarthritis: rationale and evidence for JAK inhibition

4. JAK2-mediated Intracellular Signaling

5. Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations

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