Molecular docking of potential inhibitors with the mTOR protein

The mTOR (mammalian or mechanistic Target of Rapamycin) is linked with oral cancer. Therefore, it is of interest to study the molecular docking-based binding of paclitaxel (a FDA approved drug for oral cancer) and its analogues with mTOR. Hence, we report the binding features of 10-Deacetyltaxol, 7-...

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Autores principales: Fathima, JH Shazia, Selvaraj, Jayaraman, Sivabalan, Venkatacalam, Rekha, Umapathy Vidhya, Ponnulakshmi, Rajagopal, Vishnupriya, Veeraraghavan, Kullappan, Malathi, Sreekandan, Radhika Nalinakumari, Mohan, Surapaneni Krishna, Vijayalakshmi, Periyasamy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340694/
https://www.ncbi.nlm.nih.gov/pubmed/34393439
http://dx.doi.org/10.6026/97320630017212
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author Fathima, JH Shazia
Selvaraj, Jayaraman
Sivabalan, Venkatacalam
Rekha, Umapathy Vidhya
Ponnulakshmi, Rajagopal
Vishnupriya, Veeraraghavan
Kullappan, Malathi
Sreekandan, Radhika Nalinakumari
Mohan, Surapaneni Krishna
Vijayalakshmi, Periyasamy
author_facet Fathima, JH Shazia
Selvaraj, Jayaraman
Sivabalan, Venkatacalam
Rekha, Umapathy Vidhya
Ponnulakshmi, Rajagopal
Vishnupriya, Veeraraghavan
Kullappan, Malathi
Sreekandan, Radhika Nalinakumari
Mohan, Surapaneni Krishna
Vijayalakshmi, Periyasamy
author_sort Fathima, JH Shazia
collection PubMed
description The mTOR (mammalian or mechanistic Target of Rapamycin) is linked with oral cancer. Therefore, it is of interest to study the molecular docking-based binding of paclitaxel (a FDA approved drug for oral cancer) and its analogues with mTOR. Hence, we report the binding features of 10-Deacetyltaxol, 7-Epi-10-deacetyltaxol, 7-Epi-Taxol and 6alpha-Hydroxypaclitaxel with mTOR for further consideration.
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spelling pubmed-83406942021-08-12 Molecular docking of potential inhibitors with the mTOR protein Fathima, JH Shazia Selvaraj, Jayaraman Sivabalan, Venkatacalam Rekha, Umapathy Vidhya Ponnulakshmi, Rajagopal Vishnupriya, Veeraraghavan Kullappan, Malathi Sreekandan, Radhika Nalinakumari Mohan, Surapaneni Krishna Vijayalakshmi, Periyasamy Bioinformation Research Article The mTOR (mammalian or mechanistic Target of Rapamycin) is linked with oral cancer. Therefore, it is of interest to study the molecular docking-based binding of paclitaxel (a FDA approved drug for oral cancer) and its analogues with mTOR. Hence, we report the binding features of 10-Deacetyltaxol, 7-Epi-10-deacetyltaxol, 7-Epi-Taxol and 6alpha-Hydroxypaclitaxel with mTOR for further consideration. Biomedical Informatics 2021-01-31 /pmc/articles/PMC8340694/ /pubmed/34393439 http://dx.doi.org/10.6026/97320630017212 Text en © 2021 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Fathima, JH Shazia
Selvaraj, Jayaraman
Sivabalan, Venkatacalam
Rekha, Umapathy Vidhya
Ponnulakshmi, Rajagopal
Vishnupriya, Veeraraghavan
Kullappan, Malathi
Sreekandan, Radhika Nalinakumari
Mohan, Surapaneni Krishna
Vijayalakshmi, Periyasamy
Molecular docking of potential inhibitors with the mTOR protein
title Molecular docking of potential inhibitors with the mTOR protein
title_full Molecular docking of potential inhibitors with the mTOR protein
title_fullStr Molecular docking of potential inhibitors with the mTOR protein
title_full_unstemmed Molecular docking of potential inhibitors with the mTOR protein
title_short Molecular docking of potential inhibitors with the mTOR protein
title_sort molecular docking of potential inhibitors with the mtor protein
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340694/
https://www.ncbi.nlm.nih.gov/pubmed/34393439
http://dx.doi.org/10.6026/97320630017212
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