Molecular Docking Study of Five Novel 1,2,3-Triazole Linked Metronidazole Derivatives as Cytotoxic Agents

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Molecular docking reveals enhanced binding affinity of new metronidazole compounds against EGFR, suggesting potential as cancer therapies.

The newly synthesized 1,2,3-triazole-linked metronidazole compounds show improved binding energy as potential cancer treatments.
Binding energy of the new compounds ranges from -7.5733 to -8.4456 Kcal/mol, outpacing erlotinib’s binding energy of -7.7359 Kcal/mol.
Using molecular docking, the synthesized compounds exhibited lower RMSD values, indicating strong binding interactions with EGFR.
These findings suggest that the novel compounds may serve as effective EGFR inhibitors, warranting further investigation.

Sayad et al. (2024) studied this question.

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View Full Paper

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Molecular docking reveals enhanced binding affinity of new metronidazole compounds against EGFR, suggesting potential as cancer therapies.

The newly synthesized 1,2,3-triazole-linked metronidazole compounds show improved binding energy as potential cancer treatments.
Binding energy of the new compounds ranges from -7.5733 to -8.4456 Kcal/mol, outpacing erlotinib’s binding energy of -7.7359 Kcal/mol.
Using molecular docking, the synthesized compounds exhibited lower RMSD values, indicating strong binding interactions with EGFR.
These findings suggest that the novel compounds may serve as effective EGFR inhibitors, warranting further investigation.

Sayad et al. (2024) studied this question.

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Bookmark