Investigation of complexation of amlodipine with lysozyme and its effect on lysozyme crystal growth

Pawar, Satish; Raul, Kusaji Pundlik; Ottoor, Divya

doi:10.1016/j.saa.2019.117623

Cited by 14 publications

(11 citation statements)

References 25 publications

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“…This may explain why a decrease in antiviral activity was noted with NIC solubilized in DMSO compared to NIC particles. Interactions between NIC and hLYS in the microenvironment may serve as a mechanism to disrupt this self-association and ensure availability of the electronegative functional groups, as lysozyme has been previously demonstrated to complex with negatively charged molecules [73] and a hydrophobic drug [74]. Given the physicochemical properties of NIC, both chargedbased and hydrophobic interactions with hLYS may be important.…”

Section: Discussionmentioning

confidence: 99%

Development and evaluation of inhalable composite niclosamide-lysozyme particles: A broad-spectrum, patient-adaptable treatment for coronavirus infections and sequalae

et al. 2021

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Niclosamide (NIC) has demonstrated promising in vitro antiviral efficacy against SARS-CoV-2, the causative agent of the COVID-19 pandemic. Though NIC is already FDA-approved, administration of the currently available oral formulation results in systemic drug levels that are too low for the inhibition of SARS-CoV-2. We hypothesized that the co-formulation of NIC with an endogenous protein, human lysozyme (hLYS), could enable the direct aerosol delivery of the drug to the respiratory tract as an alternative to oral delivery, thereby effectively treating COVID-19 by targeting the primary site of SARS-CoV-2 acquisition and spread. To test this hypothesis, we engineered and optimized composite particles containing NIC and hLYS suitable for delivery to the upper and lower airways via dry powder inhaler, nebulizer, and nasal spray. The novel formulation demonstrates potent in vitro and in vivo activity against two coronavirus strains, MERS-CoV and SARS-CoV-2, and may offer protection against methicillin-resistance staphylococcus aureus pneumonia and inflammatory lung damage occurring secondary to SARS-CoV-2 infections. The suitability of the formulation for all stages of the disease and low-cost development approach will ensure rapid clinical development and wide-spread utilization.

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Section: Discussionmentioning

confidence: 99%

Development and evaluation of inhalable composite niclosamide-lysozyme particles: A broad-spectrum, patient-adaptable treatment for coronavirus infections and sequalae

et al. 2021

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“…Proteins are supposed to have inherent fluorescence because they contain amino acids, notably Trp and Tyr. The lysozyme emission peaks were at 341 nm when excited at 280 nm [18]. The fluorescence spectra of the lysozyme-doxofylline system are shown in Figure 2A, which demonstrates that when the excitation wavelength was 280 nm, the lysozyme fluorescence intensity consistently reduced with doxofylline addition, showing the potent binding of doxofylline to lysozyme.…”

Section: Steady-state Fluorescence Spectroscopic Analysismentioning

confidence: 94%

Studying the Mechanism of Interaction of Doxofylline with Human Lysozyme: A Biophysical and In Silico Approach

Alomar

2023

Molecules

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In this study, multiple spectroscopic and computational methods were utilized to investigate the binding mechanism of doxofylline with lysozyme. The in vitro methods were used to obtain the binding kinetics and thermodynamics. UV–vis spectroscopy indicated the formation of complex between doxofylline and lysozyme. The Gibb’s free energy and binding constant from UV–vis data was obtained as −7.20 kcal M−1 and 1.929 × 105 M−1, respectively. Doxofylline successfully quenched the fluorescence of lysozyme, confirming the formation of complex. The kq and Ksv values for the quenching of lysozyme’s fluorescence by doxofylline were 5.74 × 1011 M−1 s−1 and 3.32 × 103 M−1, respectively. These values signified a moderate binding affinity between doxofylline and lysozyme. In synchronous spectroscopy, red shifts were observed for indicating the changes in microenvironment of lysozyme following the binding of doxofylline. The secondary structural analysis was determined using circular dichroism (CD) which revealed an increase in % α-helical as a result of doxofylline interaction. The binding affinity and flexibility of lysozyme upon complexation have been revealed via molecular docking and molecular dynamic (MD) simulations, respectively. According to the many parameters of the MD simulation, the lysozyme–doxofylline complex was stable under physiological conditions. All during the simulation time, hydrogen bonds were continuously present. The MM-PBSA binding energy for lysozyme and doxofylline binding was found to be −30.55 kcal mol−1.

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“…During docking analysis, the X-ray crystal structure of lysozyme was retrieved from the Protein Data Bank (PDB code: 2cds) and all water molecules in the PDB file were deleted using Pymol (Pawar et al, 2020). SPDBV was used to minimize energy and replenish missing atoms.…”

Section: Molecular Dockingmentioning

confidence: 99%

Enhancement of protein crystallization with the application of Taylor vortex and Poly(ionic liquid)s

Tao

Gao

Chen

et al. 2022

Chemical Engineering Science

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Investigation of complexation of amlodipine with lysozyme and its effect on lysozyme crystal growth

Cited by 14 publications

References 25 publications

Development and evaluation of inhalable composite niclosamide-lysozyme particles: A broad-spectrum, patient-adaptable treatment for coronavirus infections and sequalae

Development and evaluation of inhalable composite niclosamide-lysozyme particles: A broad-spectrum, patient-adaptable treatment for coronavirus infections and sequalae

Studying the Mechanism of Interaction of Doxofylline with Human Lysozyme: A Biophysical and In Silico Approach

Enhancement of protein crystallization with the application of Taylor vortex and Poly(ionic liquid)s

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