Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer

Budhayash Gautam; Rashmi Singh; Satendra Singh

2024, Vol: 6, Issue: 2

6 / 2Current Issue Online First Archive Aims and Scope Abstracting & Indexing Most Accessed Articles Most Downloaded Articles Most Cited Articles

Required files to be uploaded

Author Declation form_(v2r)_

« Previous Article

Research Article
Online Published: 24 Nov 2019

IJLSAS. 2019; 1(1): 33-49

Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer

Budhayash Gautam, Rashmi Singh, Satendra Singh.

Abstract
Cancer is the uncontrolled growth of abnormal cells in the body. Cancerous cells are also called malignant cells, when it spread to other locations in the body via lymph or blood. The culprit gene found was WWP2, a WW domain containing E3 ubiquitin protein ligase2. It was proved to be a potential oncogene which attacks and breaks down a natural inhibitor (found to be PTEN) in the body which normally prevents cancer cells from spreading. So, it was evident that if this gene is blocked by right drugs, it can help checking the metastasis which occurs in the critical late stages of cancers. However, 3D structure of this protein is not yet available. Therefore, an attempt has been made to predict the structure of the protein. A three dimensional model was constructed using the comparative modeling approach and ab-initio methods to get its structural information. The model was validated using PROCHECK for its stereochemical quality. The stability of the protein was checked by performing the Molecular Dynamics simulation using GROMACS 4.0.6 software package and finally the virtual screening and docking was performed by using the ligands from ZINC database, to get the information about the possible inhibitors for the protein, so that it could be blocked by these inhibitors and its further activity could be checked.

Key words: WWP2, Homology modeling, Ab-initio modeling, Molecular dynamics, Active site prediction

	ARTICLE TOOLS
	Abstract
	PDF Fulltext
	How to cite this article
	Citation Tools
	Related Records
	Articles by Budhayash Gautam Articles by Rashmi Singh Articles by Satendra Singh
	on Google
	on Google Scholar

How to Cite this Article

Pubmed Style

Budhayash Gautam, Rashmi Singh, Satendra Singh. Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer. IJLSAS. 2019; 1(1): 33-49.

Web Style

Budhayash Gautam, Rashmi Singh, Satendra Singh. Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer. https://www.ijlsas.com/?mno=302644887 [Access: November 10, 2024].

AMA (American Medical Association) Style

Budhayash Gautam, Rashmi Singh, Satendra Singh. Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer. IJLSAS. 2019; 1(1): 33-49.

Vancouver/ICMJE Style

Harvard Style

Budhayash Gautam, Rashmi Singh, Satendra Singh (2019) Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer. IJLSAS, 1 (1), 33-49.

Turabian Style

Budhayash Gautam, Rashmi Singh, Satendra Singh. 2019. Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer. International Journal Of Life Sciences and Applied Sciences, 1 (1), 33-49.

Chicago Style

Budhayash Gautam, Rashmi Singh, Satendra Singh. "Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer.Molecular modeling of WW domain containing E3 ubiquitin ligase2 (WWP2): a potential target for the discovery of novel drugs in the treatment of cancer." International Journal Of Life Sciences and Applied Sciences 1 (2019), 33-49.

MLA (The Modern Language Association) Style

APA (American Psychological Association) Style

Author Login Reviewer Login About Publisher Editorial Policies Editorial Review Policy Peer Review Policy Editorial & Peer Review Process Author's Rights and Obligations Publication Ethics and Publication Malpractice Statement Conflict of Interest Policy Plagiarism Policy Protection of Research Participants (Statement On Human And Animal Rights)Corrections, Retractions & Expressions of Concern Self-Archiving Policies Statement of Informed Consent License Information Copyright Information

About International Journal Of Life Sciences and Applied Sciences

Contact Information

How to cite this article