Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis
Abstract Rapamycin, a macrocyclic antibiotic derived from the actinomycetes Streptomyces hygroscopicus, is a widely used immunosuppressant and anticancer drug. Even though rapamycin is regarded as a multipotent drug acting against a broad array of anomalies and diseases, the mechanism of action of r...
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| Format: | Article |
| Language: | English |
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Springer
2025-01-01
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| Series: | Journal of Cancer Research and Clinical Oncology |
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| Online Access: | https://doi.org/10.1007/s00432-024-06072-y |
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| author | Sanjeev K. Ganesh C. Subathra Devi |
| author_facet | Sanjeev K. Ganesh C. Subathra Devi |
| author_sort | Sanjeev K. Ganesh |
| collection | DOAJ |
| description | Abstract Rapamycin, a macrocyclic antibiotic derived from the actinomycetes Streptomyces hygroscopicus, is a widely used immunosuppressant and anticancer drug. Even though rapamycin is regarded as a multipotent drug acting against a broad array of anomalies and diseases, the mechanism of action of rapamycin and associated pathways have not been studied and reported clearly. Also reports on the binding of rapamycin to cancer cell receptors are limited to the serine/threonine protein kinase mTORC1. Hence, to uncover the exact potential of rapamycin in cancer therapy, a series of cell culture and in silico studies were conducted to identify other receptors capable of binding to rapamycin. Through molecular docking and simulations, it was found that the receptors EGFR, FKBP12, MET, FGFR, ROS1 and ALK were capable of binding with rapamycin. The findings from the current study provides new insights in modern cancer research and therapy. This could also facilitate in understanding the possible action mechanisms of rapamycin in other diseases such as neurovegetative diseases, autoimmune diseases, etc. |
| format | Article |
| id | doaj-art-96d54ee9d4f1422e965f1b1bc2abe5d5 |
| institution | Kabale University |
| issn | 1432-1335 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Springer |
| record_format | Article |
| series | Journal of Cancer Research and Clinical Oncology |
| spelling | doaj-art-96d54ee9d4f1422e965f1b1bc2abe5d52025-02-09T12:10:16ZengSpringerJournal of Cancer Research and Clinical Oncology1432-13352025-01-01151111310.1007/s00432-024-06072-yExploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysisSanjeev K. Ganesh0C. Subathra Devi1School of Bio Sciences and Technology, Vellore Institute of TechnologySchool of Bio Sciences and Technology, Vellore Institute of TechnologyAbstract Rapamycin, a macrocyclic antibiotic derived from the actinomycetes Streptomyces hygroscopicus, is a widely used immunosuppressant and anticancer drug. Even though rapamycin is regarded as a multipotent drug acting against a broad array of anomalies and diseases, the mechanism of action of rapamycin and associated pathways have not been studied and reported clearly. Also reports on the binding of rapamycin to cancer cell receptors are limited to the serine/threonine protein kinase mTORC1. Hence, to uncover the exact potential of rapamycin in cancer therapy, a series of cell culture and in silico studies were conducted to identify other receptors capable of binding to rapamycin. Through molecular docking and simulations, it was found that the receptors EGFR, FKBP12, MET, FGFR, ROS1 and ALK were capable of binding with rapamycin. The findings from the current study provides new insights in modern cancer research and therapy. This could also facilitate in understanding the possible action mechanisms of rapamycin in other diseases such as neurovegetative diseases, autoimmune diseases, etc.https://doi.org/10.1007/s00432-024-06072-yRapamycinmTORC1AnticancerEGFRMultipotent drug |
| spellingShingle | Sanjeev K. Ganesh C. Subathra Devi Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis Journal of Cancer Research and Clinical Oncology Rapamycin mTORC1 Anticancer EGFR Multipotent drug |
| title | Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis |
| title_full | Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis |
| title_fullStr | Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis |
| title_full_unstemmed | Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis |
| title_short | Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis |
| title_sort | exploring the interactions of rapamycin with target receptors in a549 cancer cells insights from molecular docking analysis |
| topic | Rapamycin mTORC1 Anticancer EGFR Multipotent drug |
| url | https://doi.org/10.1007/s00432-024-06072-y |
| work_keys_str_mv | AT sanjeevkganesh exploringtheinteractionsofrapamycinwithtargetreceptorsina549cancercellsinsightsfrommoleculardockinganalysis AT csubathradevi exploringtheinteractionsofrapamycinwithtargetreceptorsina549cancercellsinsightsfrommoleculardockinganalysis |