Molecular docking of potential inhibitors with the mTOR protein

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Title	Molecular docking of potential inhibitors with the mTOR protein
Authors	JH Shazia Fathima¹, Jayaraman Selvaraj J^2,*, Venkatacalam Sivabalan³, Umapathy Vidhya Rekha⁴, Rajagopal Ponnulakshmi⁵, Veeraraghavan Vishnupriya², Malathi Kullappan⁶, Radhika Nalinakumari Sreekandan⁷, Surapaneni Krishna Mohan⁸, Periyasamy Vijayalakshmi⁹
Affiliation	¹Department of Oral and Maxillofacial Pathology, Ragas Dental College and Hospitals, Chennai, India; ²Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India; ³Department of Biochemistry, KSR Institute of Dental Sciences and Research, Thiruchengodu-637215, India; ⁴Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India; ⁵Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be University), Chennai-600 078, India; ⁶Department of Research, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India; ⁷Department of Clinical Skills & Simulation, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123, India; ⁸Department of Biochemistry and Department of Clinical Skills & Simulation, Department of Research, Panimalar Medical College Hospital & Research Institute, Varadharajapuram, Poonamallee, Chennai - 600 123; ⁹DBT-BIF Centre, PG & Research Department of Biotechnology & Bioinformatics, Holy Cross College (Autonomous), Trichy, Tamilnadu, India;
Email	Dr. Jayaraman Selvaraj - E-mail: jselvaendo@gmail.com
Article Type	Research Article
Date	Received December 29, 2020; Revised December 31, 2020; Accepted January 26, 2020, Published January 31, 2021
Abstract	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.
Keywords	mTOR, paclitaxel, analogues, molecular docking, oral cancer.
Citation	Fathima et al. Bioinformation 17(1): 212-217 (2021)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	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.