ArticleComputational and structural biotechnology journal2019
2D-SAR, Topomer CoMFA and molecular docking studies on avian influenza neuraminidase inhibitors.
Article in Computational and structural biotechnology journal, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed, 26 citations in OpenAlex.
- Discovery of Novel Natural Inhibitors of H5N1 Neuraminidase Using Integrated Molecular Modeling and ADMET Prediction.Bioengineering (Basel, Switzerland) · 2025Article
- QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking.BMC chemistry · 2024Article
- Bioinformatics and machine learning driven key genes screening for hepatocellular carcinoma.Biochemistry and biophysics reports · 2024Article
- Structural Insights on Hyp-Gly-Containing Peptides as Antiplatelet Compounds through Topomer CoMFA and CoMSIA Analysis.Foods (Basel, Switzerland) · 2023Article
- Network pharmacology of iridoid glycosides from Eucommia ulmoides Oliver against osteoporosis.Scientific reports · 2022Article
- RIGI, TLR7, and TLR3 Genes Were Predicted to Have Immune Response Against Avian Influenza in Indigenous Ducks.Frontiers in molecular biosciences · 2021Article
Corrections and comments
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Authors and funding
8 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Avian influenza is a serious zoonotic infectious disease with huge negative impacts on local poultry farming, human health and social stability. Therefore, the design of new compounds against avian influenza has been the focus in this field. In this study, computational methods were applied to investigate the compounds with neuraminidase inhibitory activity. First, 2D-SAR model was built to recognize neuraminidase inhibitors (NAIs). As a result, the accuracy of 10 cross-validation and independent tests is 96.84% and 98.97%, respectively. Then, the Topomer CoMFA model was constructed to predict the inhibitory activity and analyses molecular fields. Two models were obtained by changing the cutting methods. The second model is employed to predict the activity (q
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Registered trials
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