Investigation of the Interaction of ENT Drugs with Target Proteins Using a Molecular Docking Approach


DOĞAN M.

Turkish Computational and Theoretical Chemistry, cilt.9, sa.2, ss.137-146, 2025 (Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 9 Sayı: 2
  • Basım Tarihi: 2025
  • Doi Numarası: 10.33435/tcandtc.1683071
  • Dergi Adı: Turkish Computational and Theoretical Chemistry
  • Derginin Tarandığı İndeksler: Scopus
  • Sayfa Sayıları: ss.137-146
  • Anahtar Kelimeler: drug-protein interaction, ENT pharmacotherapy, Molecular docking, structure-based drug design, therapeutic targets
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

Understanding the interactions of drugs commonly used in the treatment of Ear, Nose and Throat (ENT) diseases at the molecular level is of great importance in terms of increasing treatment efficacy and identifying new therapeutic targets. In this study, five different active drug substances commonly used in the field of ENT (amoxicillin, loratadine, fluticasone and pseudoephedrine) were selected and the binding potentials of these molecules with the relevant biological target proteins (PDB IDs 1ZG4, 3RZE, 1M2Z, 4V7U, 2RH1) were investigated by molecular docking methods. The selected proteins are associated with bacterial resistance mechanisms, allergic responses, inflammation processes and sympathomimetic effects and play important roles in explaining the therapeutic effects of the relevant drugs. It is aimed that the molecular docking results will contribute to the optimization of drug design and current treatment approaches by revealing the structural basis of drug-protein interactions.