Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments
- 30 June 2020
- journal article
- Published by European Journal of Chemistry in European Journal of Chemistry
- Vol. 11 (2), 145-155
- https://doi.org/10.5155/eurjchem.11.2.145-155.1971
Abstract
The triptan drug such as eletriptan in combination with hydrochloride (ETP) is a 5-HT1 receptor agonist used to treat the migraine headache. Human serum albumin (HSA), the fundamental serum protein, executes various functions, that includes transporting and binding of many ligands. HSA binding interaction with ETP is elucidated from molecular docking in composite with fluorescence (emission, 3D and synchronous), UV-vis and FT-IR spectroscopy at 296, 304 and 312 K (pH = 7.40). ETP after interaction modified the HSA secondary structure and its micro-environments. Energy transfer and thermodynamic parameters were evaluated. Various quenching and binding constants were computed for formed ETP-HSA complex. The dominant interactive forces for ETP and HSA binding are hydrogen bonds join up with van der Waals extent possibly at site III (IB). The presence of Ca2+, Co2+, Na+, Mg2+ and Fe3+ ions significantly affected binding ability of ETP towards HSA. The essentialness of this investigation is beneficial in life sciences, medicinal chemistry, pharmaceutical industry and clinical medicine.Keywords
This publication has 25 references indexed in Scilit:
- A comparison investigation of DNP-binding effects to HSA and HTF by spectroscopic and molecular modeling techniquesJournal of Biomolecular Structure and Dynamics, 2013
- The influence of common metal ions on the interactions of the isoflavone genistein with bovine serum albuminSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013
- Multispectroscopic and Molecular Modeling Approach To Investigate the Interaction of Flavokawain B with Human Serum AlbuminJournal of Agricultural and Food Chemistry, 2012
- Multi-spectroscopic Investigations of Aspirin and Colchicine Interactions with Human Hemoglobin: Binary and Ternary SystemsJournal of Solution Chemistry, 2011
- Binding of antitumor tamoxifen and its metabolites 4-hydroxytamoxifen and endoxifen to human serum albuminBiochimie, 2011
- Lomefloxacin promotes the interaction between human serum albumin and transferrin: A mechanistic insight into the emergence of antibiotic's side effectsJournal of Pharmaceutical and Biomedical Analysis, 2011
- Spectroscopic investigation of the interaction between riboflavin and bovine serum albuminJournal of Molecular Structure, 2009
- The extraordinary ligand binding properties of human serum albuminIUBMB Life, 2005
- Structural Basis of the Drug-binding Specificity of Human Serum AlbuminJournal of Molecular Biology, 2005
- Differential scanning calorimetric study of the molten globule state of cytochrome c induced by sodium n-dodecyl sulfateThermochimica Acta, 2004