Molecular Docking Approach of Some Quinoxaline Derivatives as Anticancer Agents Targeting VEGFR-2.

Elsakka, Mayada E. G.; Tawfik, Mohamed M.; Barakat, Lamiaa A. A.; Nafie, Mohamed S.

doi:10.21608/ajbas.2023.225602.1163

	Molecular Docking Approach of Some Quinoxaline Derivatives as Anticancer Agents Targeting VEGFR-2.
Alfarama Journal of Basic & Applied Sciences
Volume 5, Issue 1, January 2024, Page 76-82 PDF (925.67 K)
Document Type: Original Article
DOI: 10.21608/ajbas.2023.225602.1163
View on SCiNiTO
Authors
Mayada E. G. Elsakka ¹; Mohamed M. Tawfik²; Lamiaa A. A. Barakat¹; Mohamed S. Nafie³
¹Chemistry Department, Faculty of Science, Port Said University, Port Said, Egypt
²Zoology Department, Faculty of Science, Port Said University, Port Said, Egypt
³Chemistry Department, Faculty of Science, Suez Canal University, Ismailia 41522, Egypt
Abstract
The vascular endothelial growth factor receptor-2 (VEGFR-2) has a crucial role in the angiogenesis of cancer. The growth of tumors was effectively prevented by inhibiting the VEGFR-2 regulatory pathway. Quinoxaline nucleus has been identified as a promising candidate that can potentially serve as a primary model for the design and synthesis of anticancer drugs that target VEGFR-2. The binding affinity of four quinoxaline-based derivatives towards the active site of the VEGFR-2 [PDB ID: 2OH4, resolution: 2.05] receptor obtained was investigated using a molecular docking approach. Quinoxaline compounds III and IV displayed binding interaction against the key amino acids of the VEGFR-2 with affinity values of -15.63 and -17.11 Kcal/mol, respectively. In addition, compounds I and II revealed affinity values of -12.13 and -11.93 kcal/mol, respectively. The present study revealed that the examined compounds I, II, III, and IV have good binding energy and interaction modes against the VEGFR-2 active site.
Keywords
Anticancer; molecular docking; quinoxaline; VEGFR-2 inhibitors


Statistics Article View: 144 PDF Download: 60