1 Resident Dental Intern, Department Of Pediatric Dentistry, Saveetha Dental College And Hospitals, Saveetha Institute Of Medical And Technical Sciences, Saveetha University, Chennai- 600 077 Tamil Nadu, India. Email: 152001036.sdc@saveetha.com
2 Phd Scholar, Department Of Pediatric Dentistry, Saveetha Dental College And Hospitals, Saveetha Institute Of Medical And Technical Sciences, Saveetha University, 160, Poonamallee High Road, Vellappanchavadi Chennai 77, Tamil Nadu, India. Email: 162415013.sdc@saveetha.com
3 Phd Guide, Professor & Head Of Academics, Department Of Pediatric Dentistry, Saveetha Dental College And Hospitals, Saveetha Institute Of Medical And Technical Sciences, Saveetha University, 160, Poonamallee High Road, Vellappanchavadi Chennai. Email: 77mahesh@saveetha.com
Background: Early childhood caries (ecc) is increasingly associated with oxidative stress and dysregulation of antioxidant defense pathways. Glyphosate, a widely used environmental herbicide, has been reported to induce oxidative stress; however, its molecular interaction with key antioxidant regulators in ecc remains unclear.
Aim: To evaluate the interaction of glyphosate with keap1 and heme oxygenase-1 (ho-1) using molecular docking and explore its implications in oxidative stress pathways related to ecc.
Materials and Methods: An in silico docking study was performed using autodock vina. The keap1 kelch domain (pdb id: 2flu) and ho-1 (pdb id: 1n45) were selected as targets. Glyphosate (pubchem cid: 3496) was docked into the active sites, and interactions were analyzed using pymol and discovery studio.
Results: Glyphosate exhibited moderate binding affinity toward keap1 (−5.0 kcal/mol) and ho-1 (−4.5 kcal/mol), with interactions predominantly mediated by hydrogen bonding, electrostatic forces, and water-mediated contacts. A relatively higher affinity was observed for keap1.
Conclusion: Glyphosate may weakly modulate the keap1–nrf2–ho-1 pathway, potentially contributing to oxidative stress in ecc. Further experimental validation is required.
Keywords: Early Childhood Caries, Oxidative Stress, Glyphosate, Nuclear Factor Erythroid 2-Related Factor 2 (Nrf2), Heme Oxygenase-1, Reactive Oxygen Species, Antioxidants, Environmental Exposure, Good Health And Well-Being.
How To Cite This Article: Nishitha D, Ramesh R, Mahesh R. Evaluation Of Glyphosate Interaction With Nrf2 And Heme Oxygenase-1 And Its Implications For Oxidative Stress In Early Childhood Caries: An In Silico Study. Int J Drug Deliv Technol. 2026;16(15s):588. Doi: 10.25258/ijddt.16.15s.69