Computer-Aided Discovery of Small Molecules Targeting the RNA Splicing Activity of hnRNP A1 in Castration-Resistant Prostate Cancer
Abstract
:1. Introduction
2. Results
2.1. Binding Site Identification on hnRNP A1 RBD
2.2. In Silico Identification of Hit Compounds Targeting the hnRNP A1 RBD Site
2.3. In Vitro Characterization of Hit Compound VPC-80051
2.4. Mode of Binding of VPC-80051 to hnRNP A1 RBD Site
3. Discussion
4. Materials and Methods
4.1. Binding Site Identification on hnRNP A1 RBD
4.2. Virtual Screening
4.3. MM/GBSA Simulations
4.4. Molecular Dynamics Simulations
4.5. AR-V7 Level Measurement
4.6. Bio-Layer Interferometry Assay
4.7. qRT-PCR
4.8. Western Blotting
4.9. Cell Viability Assay
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Sample Availability: Samples of the compounds are not available from the authors. |
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Carabet, L.A.; Leblanc, E.; Lallous, N.; Morin, H.; Ghaidi, F.; Lee, J.; Rennie, P.S.; Cherkasov, A. Computer-Aided Discovery of Small Molecules Targeting the RNA Splicing Activity of hnRNP A1 in Castration-Resistant Prostate Cancer. Molecules 2019, 24, 763. https://doi.org/10.3390/molecules24040763
Carabet LA, Leblanc E, Lallous N, Morin H, Ghaidi F, Lee J, Rennie PS, Cherkasov A. Computer-Aided Discovery of Small Molecules Targeting the RNA Splicing Activity of hnRNP A1 in Castration-Resistant Prostate Cancer. Molecules. 2019; 24(4):763. https://doi.org/10.3390/molecules24040763
Chicago/Turabian StyleCarabet, Lavinia A., Eric Leblanc, Nada Lallous, Helene Morin, Fariba Ghaidi, Joseph Lee, Paul S. Rennie, and Artem Cherkasov. 2019. "Computer-Aided Discovery of Small Molecules Targeting the RNA Splicing Activity of hnRNP A1 in Castration-Resistant Prostate Cancer" Molecules 24, no. 4: 763. https://doi.org/10.3390/molecules24040763