Combined Multispectroscopic and Molecular Docking Assessments to the Effect of an Anticonvulsant, Oxcarbazepine on Human Serum Albumin Conformation and its Binding Properties

Manjushree, M. and Revanasiddappa, H. D. (2022) Combined Multispectroscopic and Molecular Docking Assessments to the Effect of an Anticonvulsant, Oxcarbazepine on Human Serum Albumin Conformation and its Binding Properties. Journal of Applied Spectroscopy, 89 (2). pp. 350-355. ISSN 1573-8647

Text (Full Text) COMBINED MULTISPECTROSCOPIC AND MOLECULAR.pdf - Published Version Download (1MB)

Abstract

Elimination and distribution of drugs are affected by human serum albumin (HSA) interaction. In children and adults, specific types of seizures are controlled by oxcarbazepine (OXZ) alone or in combination with other medications. However, the OXZ interaction with HSA was probed through 3D fluorescence, emission fluorescence, UV-Vis spectroscopy, and molecular docking. OXZ statically quenched the HSA fluorescence spontaneously and exothermically. Thermodynamic parameters revealed the involvement of hydrogen bonds together with van der Waals forces. Molecular docking inspections confirmed that OXZ is bound to site I of HSA. Strong binding with OXZ (of K-b order 10(5) L/mol) reduced the secondary, micro-environmental, and conformational structures of HSA, suggesting that it unfolds. Thus, the assessment of such conformational details of OXZ-HSA binding is pivotal in surveying the efficacy of OXZ as a therapeutic operator and interpreting its pharmacokinetic properties.

Item Type:	Article
Uncontrolled Keywords:	binding interaction; secondary structure; energy transfer; molecular docking; oxcarbazepine
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	C Swapna Library Assistant
Date Deposited:	17 Jul 2023 09:43
Last Modified:	17 Jul 2023 09:43
URI:	http://eprints.uni-mysore.ac.in/id/eprint/17651

Actions (login required)

View Item