Identifying potential ligand molecules EGFR mediated TNBC targeting the kinase domain-identification of customized drugs through in silico methods

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Vyshnavi Hima; Namboori Krishnan

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: RESEARCH IN PHARMACEUTICAL SCIENCES (RPS) Year:2023 | Volume:18 | Issue:2 Page(s): 121-137

Download Full-Text

View:

Download:

Cites:

Information Journal Paper

Title

Identifying potential ligand molecules EGFR mediated TNBC targeting the kinase domain-identification of customized drugs through in silico methods

Author(s)

Vyshnavi Hima | Namboori Krishnan | Issue Writer Certificate

Keywords

Conserved region

EGFR

Kinase domain

Sensitive region

TNBC

Abstract

Background and Purpose: Triple-negative breast cancer (TNBC) is an aggressive subtype of breast cancer in which three hormone receptors are negative. This work aimed at identifying customized potential molecules inhibiting epidermal growth factor receptor (EGFR) by exploring variants using the pharmacogenomics approaches. Experimental approach: The pharmacogenomics approach has been followed to identify the genetic variants across the 1000 genomes continental population. Model proteins for the populations have been designed by including genetic variants in the reported positions. The 3D structures of the mutated proteins have been generated through homology modeling. The Kinase domain present in the parent and the model protein molecules has been investigated. The docking study has been performed with the protein molecules against the kinase inhibitors evaluated by the molecular dynamic simulation studies. Molecular evolution has been performed to generate the potential derivatives of these kinase inhibitors suitable for the Conserved region of the Kinase domain. This study considered variants within the Kinase domain as the Sensitive region and remaining residues as the Conserved region. Findings/Results: The results reveal that few kinase inhibitors interact with the Sensitive region. Among the derivatives of these kinase inhibitors molecules, the potential kinase inhibitor that interacts with the different population models has been identified Conclusions and implications: This study encompasses the importance of genetic variants in drug action as well as in the design of customized drugs. This research gives way to designing customized potential molecules inhibiting EGFR by exploring variants using the pharmacogenomics approaches.

Cites

No record.

References

No record.

Cite

APA: Copy

Vyshnavi, Hima, & Namboori, Krishnan. (2023). Identifying potential ligand molecules EGFR mediated TNBC targeting the kinase domain-identification of customized drugs through in silico methods. RESEARCH IN PHARMACEUTICAL SCIENCES (RPS), 18(2), 121-137. SID. https://sid.ir/paper/1085259/en

Vancouver: Copy

Vyshnavi Hima, Namboori Krishnan. Identifying potential ligand molecules EGFR mediated TNBC targeting the kinase domain-identification of customized drugs through in silico methods. RESEARCH IN PHARMACEUTICAL SCIENCES (RPS)[Internet]. 2023;18(2):121-137. Available from: https://sid.ir/paper/1085259/en

IEEE: Copy

Hima Vyshnavi, and Krishnan Namboori, “Identifying potential ligand molecules EGFR mediated TNBC targeting the kinase domain-identification of customized drugs through in silico methods,” RESEARCH IN PHARMACEUTICAL SCIENCES (RPS), vol. 18, no. 2, pp. 121–137, 2023, [Online]. Available: https://sid.ir/paper/1085259/en

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops