Ranked binding energies of residues and data fusion to identify the active and selective pyrimidine-based Janus kinases 3 (JAK3) inhibitors
Author:
Affiliation:
1. Department of Chemistry, Faculty of Science, Babol Noshirvani University of Technology, Babol, Iran
Funder
funding associated with the work
Publisher
Informa UK Limited
Subject
Drug Discovery,Molecular Medicine,General Medicine,Bioengineering
Link
https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2021.2013318
Reference27 articles.
1. A novel molecular descriptor selection method in QSAR classification model based on weighted penalized logistic regression
2. Classification and QSAR models of leukotriene A4 hydrolase (LTA4H) inhibitors by machine learning methods
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4. Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking
5. In silico evaluation, molecular docking and QSAR analysis of quinazoline-based EGFR-T790M inhibitors
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1. QSAR-driven screening uncovers and designs novel pyrimidine-4,6-diamine derivatives as potent JAK3 inhibitors;Journal of Biomolecular Structure and Dynamics;2023-12-07
2. Developing reliable classification of dual IDO1/TDO inhibitors using data fusion and majority voting;Journal of Biomolecular Structure and Dynamics;2023-11-03
3. Identification of Selective JAK3/STAT1 and CYP34A from Pyrazolopyrimidine Derivatives: A Search for Potential Drug Targets for Rheumatoid Arthritis using In-silico Drug Discovery Techniques;Letters in Drug Design & Discovery;2023-08-21
4. Hybrid consensus and k-nearest neighbours (kNN) strategies to classify dual BRD4/PLK1 inhibitors;SAR and QSAR in Environmental Research;2022-10-03
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