Abstract
Background: Recent decades witnessed a significant growth in terms of phytocompounds based therapeutics, extensively explored for almost all types of existing disorders. They have also been widely investigated in Neurodegenerative disorders (NDDs) and Chlorogenic acid (CGA), a polyphenolic compound having potential anti-inflammatory and anti-oxidative properties, emerged as a promising compound in ameliorating NDDs. Owing to its poor stability, bioavailability and release kinetics, CGA needed a suitable nanocarrier based pharmaceutical design for targeting NDDs. Objective: The current study is aimed at the in-silico validation of CGA as an effective therapeutic agent targeting various NDDs followed by the fabrication of polymeric nanoparticles-based carrier system to overcome its pharmacological limitations and improve its stability. Methods: A successful in-silico validation using molecular docking techniques along with synthesis of CGA loaded polymeric nanoparticles (CGA-NPs) by ionic gelation method was performed. The statistical optimisation of the developed CGA-NPs was done by Box Behnken method and then the optimized formulation of CGA-NPs was characterised using particle size analysis (PSA), Transmission electron microscopy (TEM), Fourier Transform Infrared spectroscopy (FTIR) along with in-vitro release kinetics analysis. Results & Conclusion: The results attained exhibited average particle size of 101.9 ± 1.5 nm, Polydispersibility (PDI) score of 0.065 and a ZP of −17.4 mV. On a similar note, TEM results showed a size range of CGA-NPs between 90 - 110 nm with a spherical shape of NPs. Also, the data from in-vitro release kinetics showed a sustained release of CGA from the NPs following the first-order kinetics suggesting the appropriate designing of nanoformulation.
Highlights
Neurodegenerative disorders (NDDs) is a collective term given to set of neurological disorders that exhibits progressive degeneration of neurons; including developmental and psychiatric strains [1]
Interaction between proteins and Chlorogenic acid (CGA) involves binding of various amino acid residues which results in a formation of highly stable complex
The present study highlights the in-silico validation of high-level interaction of CGA with the active sites of the given proteins that form the validation of the step
Summary
Neurodegenerative disorders (NDDs) is a collective term given to set of neurological disorders that exhibits progressive degeneration of neurons (motor or sensory); including developmental and psychiatric strains [1] They occur when neural system in brain and spinal cord starts to gradually deteriorate, resulting in compromised cellular functioning and eventually leading to neuronal death. TNFα expression profile is of pro-inflammatory characteristics it functions as a promoter of the pathological initiators leading to the disease [4] Both the receptor types have their own signalling pathways distinguished by an intracellular death domain (DD), that is contained by TNFR1 (Tumour necrosis factor receptor 1) while being absent in TNFR2.
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