Computational study of amiloride – a WADA banned molecule

Authors

  • Svetlana Pelemiš University of East Sarajevo, Faculty of Technology Zvornik, Karakaj 34A, 75400 Zvornik, Republic of Srpska, Bosnia and Herzegovina
  • Sanja J. Armaković University of Novi Sad, Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental Protection, Trg Dositeja Obradovića 3, 21000 Novi Sad, Serbia
  • Bogdan T. Tomić Educons University, Faculty of Sport and Tourism – TIMS, Radnička 30a, 21000 Novi Sad, Serbia
  • Stevan Armaković University of Novi Sad, Faculty of Sciences, Department of Physics, Trg Dositeja Obradovića 3, 21000 Novi Sad, Serbia

DOI:

https://doi.org/10.7251/JEPM2101012P

Abstract

Amiloride (AMI) is a representative of diuretics. Among other purposes, it is utilized for high blood pressure or swelling induced by heart failure. While it is identified as one of the safest medicines available, it is also listed in the World Anti-doping Agency’s list of substances banned in sport, because it is considered a masking agent. Since it has been abused in sports, methods have been developed to be able to detect it during doping controls. We have computationally investigated selected structural and reactive properties of the AMI molecule in this work, employing density functional theory calculations.

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Published

2022-11-30