Prediction of Pesticide Interactions with Proteins Involved in Human Reproduction by Using a Virtual Screening Approach: A Case Study of Famoxadone Binding CRBP-III and Izumo
Abstract
:1. Introduction
2. Results and Discussion
2.1. Molecular Docking Analysis Using AutoDock Vina
2.2. CRBP-III Structure, Sequence, and Functional Role
2.3. CRBP-III–Famoxadone Interaction Model
2.4. IZUMO1 Structure, Sequence, and Functional Role
2.5. IZUMO–Famoxadone Interaction Model
3. Materials and Methods
3.1. Ligand Dataset Preparation
3.2. Protein Datasets Preparation
3.3. Molecular Docking Analysis
3.4. Bibliography Research
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Tortora, F.; Guerrera, V.; Lettieri, G.; Febbraio, F.; Piscopo, M. Prediction of Pesticide Interactions with Proteins Involved in Human Reproduction by Using a Virtual Screening Approach: A Case Study of Famoxadone Binding CRBP-III and Izumo. Int. J. Mol. Sci. 2024, 25, 5790. https://doi.org/10.3390/ijms25115790
Tortora F, Guerrera V, Lettieri G, Febbraio F, Piscopo M. Prediction of Pesticide Interactions with Proteins Involved in Human Reproduction by Using a Virtual Screening Approach: A Case Study of Famoxadone Binding CRBP-III and Izumo. International Journal of Molecular Sciences. 2024; 25(11):5790. https://doi.org/10.3390/ijms25115790
Chicago/Turabian StyleTortora, Fabiana, Valentina Guerrera, Gennaro Lettieri, Ferdinando Febbraio, and Marina Piscopo. 2024. "Prediction of Pesticide Interactions with Proteins Involved in Human Reproduction by Using a Virtual Screening Approach: A Case Study of Famoxadone Binding CRBP-III and Izumo" International Journal of Molecular Sciences 25, no. 11: 5790. https://doi.org/10.3390/ijms25115790