ISSN: 0973-7510

E-ISSN: 2581-690X

Research Article | Open Access
Amar Shankar1, S.M. Gopinath2, Shiva Prasad Kollur3, P. Sushma4, Anisha S. Jain5, Sharanagouda S. Patil6, Chandrashekar Srinivasa2, Shivalingaiah7 and Chandan Shivamallu4
1Department of Food Technology, School of Engineering and Technology, JAIN (Deemed-to-be University), Bangalore – 562 112, Karnataka, India.
2Department of Studies in Biotechnology, Davangere University, Shivagangotri, Davangere – 577002, Karnataka, India.
3Department of Sciences, Amrita School of Arts and Sciences, Mysuru, Amrita Vishwa Vidyapeetham – 570 026, Karnataka, India.
4Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru – 570015, Karnataka, India.
5Department of Microbiology, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru – 570015, Karnataka, India.
6ICAR-National Institute of Veterinary Epidemiology and Disease Informatics (NIVEDI), Yelahanka, Bengaluru -560064, Karnataka, India.
7Department of Botany, Maharani’s Science College for Women, Mysuru- 570005, India.
J Pure Appl Microbiol. 2021;15(4):2263-2269 | Article Number: 7070
https://doi.org/10.22207/JPAM.15.4.48 | © The Author(s). 2021
Received: 28/05/2021 | Accepted: 20/08/2021 | Published: 15/11/2021
Abstract

Computational databases and tools in recent times have been proved to provide an essential aid for anticancer studies in the field of oncology. Molecular docking studies facilitate the structural diversity of plant-derived phytomolecules having anticancer properties against receptor proteins involved in cancer signaling pathways. The current study involves the investigation of phytocompounds-agasthisflavone, anacardic acid, zoapatanolide A, a purified product of the plant extract Amarogopinois546 were subjected to docking studies on p38-α MAPK and EGFR Kinase domain. The effectiveness of this study was evaluated by comparing the docking interactions of a standard drug, doxorubicin against the receptor molecules. The docking study is analyzed by compound estimated with lowest binding energy is considered to have the highest affinity towards the active site of the receptor proteins. The isolated plant compound Amarogopinois546 displayed the least binding score with a large number of hydrogen bonds and hydrophobic interactions towards the P38α MAP kinase receptor in comparison with the EGFR kinase domain. This preliminary result can strongly be supported for carrying out experimental evaluation in near future.

Keywords

Phytomolecules, Docking, Binding Energy, Hydrophobic, MAPK, EGFR

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