ArticleJournal of molecular modeling2012
Aminoglycoside induced nephrotoxicity: molecular modeling studies of calreticulin-gentamicin complex.
Article in Journal of molecular modeling, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 18 citations in OpenAlex.
- Structural modeling of phosphatidylinositol 3-kinase-γ with novel derivatives of stilbenoids.Biochemistry and biophysics reports · 2024Article
- Ranacyclin-NF, a Novel Bowman-Birk Type Protease Inhibitor from the Skin Secretion of the East Asian Frog,Biology · 2020Article
- Sex Difference in Gentamicin-induced Nephrotoxicity: Influence of L-arginine in Rat Model.International journal of preventive medicine · 2018Article
- Patients' safety: is there a systemic release of gentamicin by gentamicin-coated tibia nails in clinical use?Therapeutics and clinical risk management · 2016Article
- Establishment of Simple and Routine Methods in Early Diagnosis of Gentamicin-Induced Kidney Injury Based on a Rat Model.BioMed research international · 2016Article
- Protective effect of pomegranate flower extract against gentamicin-induced renal toxicity in male rats.Journal of renal injury prevention · 2015Article
- KIM-1 and NGAL as biomarkers of nephrotoxicity induced by gentamicin in rats.Molecular and cellular biochemistry · 2014Article
- Gentamicin binds to the megalin receptor as a competitive inhibitor using the common ligand binding motif of complement type repeats: insight from the nmr structure of the 10th complement type repeat domain alone and in complex with gentamicin.The Journal of biological chemistry · 2013Article
- Erythropoietin ameliorates genetamicin-induced renal toxicity: A biochemical and histopathological study.Journal of nephropathology · 2012Article
- Ameliorative effects of metformin on renal histologic and biochemical alterations of gentamicin-induced renal toxicity in Wistar rats.Journal of research in medical sciences : the official journal of Isfahan University of Medical Sciences · 2012Article
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Gentamicin is a member of aminoglycoside group of broad spectrum antibiotics. It impairs protein synthesis by binding to A site of the 30S subunit of bacterial ribosomes. One of the main side effects of this drug is nephrotoxicity. The drug is known to bind to calreticulin, a chaperone essential for the folding of glycosylated proteins. We provide a detailed structural insight of the calreticulin-gentamicin complex by molecular modeling and the binding of the drug in the presence of explicit solvent was analyzed by molecular dynamics simulation. The gentamicin molecule binds to the lectin site of the calreticulin and lies in the concave channel formed by the long beta sheets. It makes interactions with residues Tyr109, Asp125, Asp135, Asp317 and Trp319 which are crucial for the chaperone function of the calreticulin. The superimposing of the modeled complex with the only available crystal structure complex of calreticulin with a tetrasaccharide (Glc(1)Man(3)) shows interesting features. First, the rings of the gentamicin occupy the positions of glucose and the first two mannose sugars of the tetrasaccharide molecule. Second, the oxygen atoms of the glycosidic linkage of these two ligands have a positional deviation of 1.3 Ǻ. The predicted binding constant of 16.9 μM is in accordance with the previous kinetic study experiments. The details therefore, strongly implicate gentamicin as a competitive inhibitor of sugar binding with calreticulin.
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