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The Effect on DNMT1 through Compounds for the Treatment of Cancer: An In-Silico Approach

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The Effect on DNMT1 through Compounds for the Treatment of Cancer: An In-Silico Approach


Mishka Tyagi | Noopur Khare | Abhimanyu Kumar Jha



Mishka Tyagi | Noopur Khare | Abhimanyu Kumar Jha "The Effect on DNMT1 through Compounds for the Treatment of Cancer: An In-Silico Approach" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-5 | Issue-5, August 2021, pp.22-28, URL: https://www.ijtsrd.com/papers/ijtsrd43765.pdf

Background: Cancer is a disease that involves the abnormal gowth of the cell. After growing uncontrollably in continuation, it influences and grows in other parts of the body as well[1,2]. Benign types of Tumors doesn’t invade other body parts whereas Malignant Tumor support spreading and invading other parts of the body[3]. The main objective of this work is to use Molecular Docking method to develop a drug for the treatment of Cancer. Methods: Docking was used to dock all the selected ligands with target protein i.e., DNMT1. The selected ligands were Thiophene, Sulfonamides, Chalcone, and Nitroimidazole. PyRx Software was used for the purpose of virtual screening to check various properties of these selected ligands like the Binding Affinity, RMSD (Lower Bound), RMSD (Upper Bound) etc. PyRx and SwissADME both softwares were used for finding out the Drug Likeliness of every compound and to find out the best Compound to be docked with the target protein. Chalcone was found to be the best compound for Cancer treatment having least binding affinity.Results: Molecular Docking of Chalcone with DNMT1 protein was performed with the help of AutoDock Vina Software. Output showed 9 positions of different binding affinities and RMSD values (both Lower Bound and Upper Bound). Furthermore, the visualization of results was done with the help of PyMOL Software.Conclusion: According to this study, Chalcone was the only compound from selected ligands that may be used to treat Cancer. Chalcone may act as a promising drug for cancer treatment in future perspectives.

AutoDock Vina, DNMT1, Molecular Docking, Thiophene, Chalcone, Sulfonamides, Nitroimidazole


IJTSRD43765
Volume-5 | Issue-5, August 2021
22-28
IJTSRD | www.ijtsrd.com | E-ISSN 2456-6470
Copyright © 2019 by author(s) and International Journal of Trend in Scientific Research and Development Journal. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0) (http://creativecommons.org/licenses/by/4.0)

International Journal of Trend in Scientific Research and Development - IJTSRD having online ISSN 2456-6470. IJTSRD is a leading Open Access, Peer-Reviewed International Journal which provides rapid publication of your research articles and aims to promote the theory and practice along with knowledge sharing between researchers, developers, engineers, students, and practitioners working in and around the world in many areas like Sciences, Technology, Innovation, Engineering, Agriculture, Management and many more and it is recommended by all Universities, review articles and short communications in all subjects. IJTSRD running an International Journal who are proving quality publication of peer reviewed and refereed international journals from diverse fields that emphasizes new research, development and their applications. IJTSRD provides an online access to exchange your research work, technical notes & surveying results among professionals throughout the world in e-journals. IJTSRD is a fastest growing and dynamic professional organization. The aim of this organization is to provide access not only to world class research resources, but through its professionals aim to bring in a significant transformation in the real of open access journals and online publishing.

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