Title |
Molecular docking analysis of mTOR protein kinase with chromatographically characterized compounds from Clerodendrum inerme L. leaves extract
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Authors |
Dhanalakshmi Arumugam1, Sasireka Ganesan2 & Karthikeyan Kalimuthu Ayyakkalai Marikkannu1,*
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Affiliation |
1Department of Zoology, N. M. S. S. Vellaichamy Nadar College, Madurai 625019, Tamil Nadu, India; 2Department of Zoology, Sri Meenakshi Government Arts College for Women, Madurai 625002, Tamil Nadu, India; *Corresponding author
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K.A.M. Karthikeyan - Email: karthikeyaan@gmail.com
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Article Type |
Research Article
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Date |
Received January 1, 2022; Revised April 30, 2022; Accepted April 30, 2022, Published April 30, 2022
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Abstract |
The mTOR protein is known to be linked with cancer. Therefore, it is of interest to document the molecular docking analysis of mTOR protein kinase with chromatographically characterized compounds from Clerodendrum inerme L. leaves extract. The GC-MS analysis suggested that, totally 25 bioactive compounds were present in the extract of Clerodendrum inerme. Molecular docking analysis show that the bioactive compounds such as Triethoxysilanol, Piperazine dihydrochloridehydrate, 2,4(1H,3H)-Pyrimidinedione, 5-methyl and 4',7-Dihydroxyflavanone showed good glide score and glide energy within the acceptable and permissible limits of ADME properties for further consideration in drug discovery.
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Keywords |
Molecular docking, chromatographic analysis, mTOR protein kinase, Clerodendrum inerme L.
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Citation |
Arumugam et al. Bioinformation 18(4): 381-386 (2022)
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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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.
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