ArticleOncoTargets and therapy2016
Structure-activity relationships study of mTOR kinase inhibition using QSAR and structure-based drug design approaches.
Article in OncoTargets and therapy, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Synthesis and Hepatotoxicity Evaluation of Paeonol Clofibrate.Chemistry & biodiversity · 2026Article
- In silico and in vitro investigations of novel Siglec-1 inhibitors in a microglial cell model.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Virtual docking screening and quantitative structure-activity relationship studies to explore AKT and PI3K inhibitors acting on mTOR in cancers by theoretical biology and medical modeling.Contemporary oncology (Poznan, Poland) · 2023Article
- Searching glycolate oxidase inhibitors based on QSAR, molecular docking, and molecular dynamic simulation approaches.Scientific reports · 2022Article
- Article
- The Role of Organic Small Molecules in Pain Management.Molecules (Basel, Switzerland) · 2021Review
- Experimentally Validated QSAR Model for Surface pACS omega · 2020Article
- Virtual docking screening and QSAR studies to explore AKT and mTOR inhibitors acting on PI3K in cancers.Contemporary oncology (Poznan, Poland) · 2020Article
- Curcumin-Synthetic Analogs Library Screening by Docking and Quantitative Structure-Activity Relationship Studies for AXL Tyrosine Kinase Inhibition in Cancers.Journal of computational biology : a journal of computational molecular cell biology · 2019Article
- Molecular screening and docking analysis of LMTK3and AKT1 combined inhibitors.Bioinformation · 2018Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The discovery of clinically relevant inhibitors of mammalian target of rapamycin (mTOR) for anticancer therapy has proved to be a challenging task. The quantitative structure-activity relationship (QSAR) approach is a very useful and widespread technique for ligand-based drug design, which can be used to identify novel and potent mTOR inhibitors. In this study, we performed two-dimensional QSAR tests, and molecular docking validation tests of a series of mTOR ATP-competitive inhibitors to elucidate their structural properties associated with their activity. The QSAR tests were performed using partial least square method with a correlation coefficient of
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