Electrochemical Investigations and Molecular Docking Analysis to Evaluate the Molnupiravir-Calf Thymus dsDNA Interaction

Journal of The Electrochemical Society, Journal Year: 2024, Volume and Issue: 171(5), P. 057501 - 057501

Published: April 17, 2024

Molnupiravir (MLP) is an important antiviral drug recommended for the treatment of COVID-19. In order to design new pharmaceuticals, exploring and DNA interaction crucial. This study aimed determine MLP with calf thymus double-stranded (ct-dsDNA) by electrochemical methods. Investigation these interactions was carried out using differential pulse voltammetry technique (DPV) on biosensor surface in-solution studies. Changes in ct-dsDNA between deoxyguanosine (dGuo) deoxyadenosine (dAdo) oxidation signals were examined before after interaction. It found that interacts significantly bases dAdo. Limits detection quantification MLP-ct-dsDNA calculated as 2.93 9.67 μ M linear range 10–200 M, respectively, based dAdo’s decreasing peak current. To calculate binding constant ct-dsDNA, cyclic used, it be 8.6 × 10 4 M. As molecular docking techniques, energy −8.1 kcal mol −1 , this occurred a combination strong conventional hydrogen bonding both adenine guanine base pair edges, which indicates DNA.

Language: Английский

---

Investigation on the binding behaviors of two dihydrochalcones to bovine serum albumin and their anti-glycation activities

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1311, P. 138416 - 138416

Published: April 21, 2024

Language: Английский

---

The interaction mechanisms of tetrahydrocurcumin on alcohol dehydrogenase: Insights from enzymatic activity assays, spectroscopic methods and computational techniques

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125626 - 125626

Published: July 24, 2024

Language: Английский

---

Investigation of the molecular interaction between apraclonidine, an α2-adrenergic receptor agonist, and bovine serum albumin using fluorescence and molecular docking techniques

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Journal Year: 2024, Volume and Issue: 326, P. 125246 - 125246

Published: Oct. 9, 2024

Language: Английский

---

Unraveling the binding behavior of the antifouling biocide 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one with human serum albumin: Multi-spectroscopic, atomic force microscope, computational simulation, and esterase activity

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 274, P. 133266 - 133266

Published: June 19, 2024

Language: Английский

---

Exploring the Impact of Subtle Differences in the Chemical Structure of 1-Alkylsulfates and 1-Alkylsulfonates on Their Interactions with Human Serum Albumin

Molecules, Journal Year: 2024, Volume and Issue: 29(19), P. 4598 - 4598

Published: Sept. 27, 2024

The objective of this study was to examine the interactions between anionic surfactants, specifically 1-alkylsulfonates (KXS) and 1-alkylsulfates (SXS) ions, with human serum albumin (HSA). A combination experimental techniques, including isothermal titration calorimetry (ITC), steady-state fluorescence spectroscopy (SF), molecular dynamics-based approaches employed gain a comprehensive understanding these processes. It has been demonstrated that subtle variations in charge distribution on surfactant headgroups have significant impact number binding sites, stoichiometry resulting complexes, strength surfactants protein. Additionally, we established affinity investigated ligands specific regions protein surface is governed by both headgroup length aliphatic hydrocarbon chain. In summary, findings highlight crucial role functional groups mode thermodynamic stability surfactant-protein complexes.

Language: Английский

---

Functionalized Nanomaterials for Nanobiomedicines and Cancer Diagnosis

Published: Dec. 9, 2024

Language: Английский

---