European Journal of Chemistry 2020, 11(2), 145-155 | doi: https://doi.org/10.5155/eurjchem.11.2.145-155.1971 | Get rights and content






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Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments


Manjushree Makegowda (1) orcid , Revanasiddappa Hosakere Doddarevanna (2,*) orcid

(1) Department of Chemistry, University of Mysore, Manasagangothri, Mysuru 570006, Karnataka, India
(2) Department of Chemistry, University of Mysore, Manasagangothri, Mysuru 570006, Karnataka, India
(*) Corresponding Author

Received: 14 Feb 2020 | Revised: 24 Mar 2020 | Accepted: 26 Mar 2020 | Published: 30 Jun 2020 | Issue Date: June 2020

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


Eletriptan; Energy transfer; Molecular docking; Binding interaction; Secondary structure; Fluorescence quenching

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DOI: 10.5155/eurjchem.11.2.145-155.1971

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Funding information


University Grants Commission of Basic Scientific Research (UGC-BSR) for awarding the Senior Research Fellowship (SRF) under meritorious students and Institute of Excellence (IOE), Vijnana Bhavan, Mysuru.

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How to cite


Makegowda, M.; Doddarevanna, R. Eur. J. Chem. 2020, 11(2), 145-155. doi:10.5155/eurjchem.11.2.145-155.1971
Makegowda, M.; Doddarevanna, R. Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments. Eur. J. Chem. 2020, 11(2), 145-155. doi:10.5155/eurjchem.11.2.145-155.1971
Makegowda, M., & Doddarevanna, R. (2020). Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments. European Journal of Chemistry, 11(2), 145-155. doi:10.5155/eurjchem.11.2.145-155.1971
Makegowda, Manjushree, & Revanasiddappa Hosakere Doddarevanna. "Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments." European Journal of Chemistry [Online], 11.2 (2020): 145-155. Web. 6 Aug. 2020
Makegowda, Manjushree, AND Doddarevanna, Revanasiddappa. "Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments" European Journal of Chemistry [Online], Volume 11 Number 2 (30 June 2020)

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