molecular docking and analysis of atomoxetine.

Nurullah Bolat, Merve Meliha H��z-��elikliyurt, Erhan Ak��nc��, G��ls��m Akku��, Melih G��nay, ����kr�� Alperen Korkmaz
Author Information
  1. Nurullah Bolat: Faculty of Medicine, Department of Child and Adolescent Psychiatry, ��anakkale Onsekiz Mart University, ��anakkale, T��rkiye. ORCID
  2. Merve Meliha H��z-��elikliyurt: Faculty of Medicine, Department of Medical Biology, ��anakkale Onsekiz Mart University, ��anakkale, T��rkiye. ORCID
  3. Erhan Ak��nc��: Ac��badem Healthcare Group, Ac��badem Ata��ehir Hospital, Psychiatry Clinic, Istanbul, T��rkiye. ORCID
  4. G��ls��m Akku��: School of Graduate Studies, Department of Biology, ��anakkale Onsekiz Mart University, ��anakkale, T��rkiye. ORCID
  5. Melih G��nay: School of Graduate Studies, Department of Medical System Biology, ��anakkale Onsekiz Mart University, ��anakkale, T��rkiye. ORCID
  6. ����kr�� Alperen Korkmaz: Faculty of Medicine, Department Psychiatry, ��anakkale Onsekiz Mart University, ��anakkale, T��rkiye. ORCID

Abstract

Although atomoxetine, a selective norepinephrine reuptake inhibitor, is widely used in the treatment of attention-deficit/hyperactivity disorder (ADHD), there is limited data on its cytogenetic effects. This study aimed to investigate the cytotoxicity and genotoxicity of atomoxetine and . Chromosome aberration and micronucleus assays were used to analyze the genotoxic effect of atomoxetine in human peripheral blood lymphocytes under culture conditions. The mitotic index was assessed for cytotoxic potential. For the docking analysis, DNA receptor (1BNA) was prepared with ChimeraX, and the Atomoxetine molecule was optimized by Avogadro2.0 software. molecular docking analysis was carried out utilizing SwissDock online platform. The results obtained were visualized using ChimeraX and Pymol software. Atomoxetine doses of 9.6�����g/mL (equal to about 1.2���mg/kg as a maintenance dose), 14.4�����g/mL (equal about to 1.8���mg/kg as the highest dose systematically tested), 48.0�����g/mL (equal about to 6���mg/kg as five times the maintenance dose) and 96.0�����g/mL (equal about to 12���mg/kg as ten times the maintenance dose) were analyzed. The findings clearly indicate that atomoxetine has no genotoxic effect at the therapeutic dose. However, we observed genotoxic effects at 48.0 and 96.0�����g/mL doses. No strong binding affinity occurs analyses. As one of the initial inquiries into the and appraisal of atomoxetine's genotoxic impacts, the research has established that atomoxetine does not significantly affect the frequency of chromosomal damage or micronucleus formation. Genotoxic effects should be kept in mind at doses above clinical practice.

Keywords

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