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, Pages 76-82 PDF (927.22 K) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ajbas.2023.225602.1163 | ||
| 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 | ||
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