MOLECULAR DOCKING SIMULATIONS ON EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) WITH POTENTIAL LEAD MOLECULES
The Epidermal Growth Factor Receptor (EGFR) has received significant interest in the field of lung cancer due to its pivotal involvement in the development and progression of certain types of the illness, particularly non-small cell lung cancer (NSCLC). The study used molecular docking simulations t...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Kragujevac
2025-03-01
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| Series: | Proceedings on Engineering Sciences |
| Subjects: | |
| Online Access: | https://pesjournal.net/journal/v7-n1/27.pdf |
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| Summary: | The Epidermal Growth Factor Receptor (EGFR) has received significant interest in the field of lung cancer due to its pivotal involvement in the development and progression of certain types of the illness, particularly non-small cell lung cancer (NSCLC). The study used molecular docking simulations to examine the molecular interactions between ten lead compounds and the EGFR protein. In the study of EGFR inhibitors, Tepotinib had the most advantageous docking energy of -7.92 Kcal/mol (IC-1.57μM), whereas Dacomitinib and Lazertinib demonstrated docking energies of -6.96 Kcal/mol (IC-7.91 μM) and -6.63 Kcal/mol (IC-13.77 μM), respectively, which were in close proximity. The binding affinities of these medicines towards the EGFR, as observed, suggest their potential efficacy as inhibitors. The results obtained from this research suggest that several lead medications, specifically Tepotinib, Dacomitinib, Lazertinib, and Sotorasib, demonstrate promise as inhibitors of the EGFR in the context of therapy for prostate cancer. |
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| ISSN: | 2620-2832 2683-4111 |