Development of Computational In Silico Model for Nano Lipid Carrier Formulation of Curcumin

Abstract

The oral delivery system is very important and plays a significant role in increasing the solubility of drugs, which eventually will increase their absorption by the digestive system and enhance the drug bioactivity. This study was conducted to synthesize a novel curcumin nano lipid carrier (NLC) and use it as a drug carrier with the help of computational molecular docking to investigate its solubility in different solid and liquid lipids to choose the optimum lipids candidate for the NLCs formulation and avoid the ordinary methods that consume more time, materials, cost, and efforts during laboratory experiments. The antiviral activity of the formed curcumin–NLC against SARS-CoV-2 (COVID-19) was assessed through a molecular docking study of curcumin’s affinity towards the host cell receptors. The novel curcumin drug carrier was synthesized as NLC using a hot and high-pressure homogenization method. Twenty different compositions of the drug carrier (curcumin nano lipid) were synthesized and characterized using different physicochemical techniques such as UV–Vis, FTIR, DSC, XRD, particle size, the zeta potential, and AFM. The in vitro and ex vivo studies were also conducted to test the solubility and the permeability of the 20 curcumin–NLC formulations. The NLC as a drug carrier shows an enormous enhancement in the solubility and permeability of the drug.

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“…Synthetic preservatives often have adverse health effects and may lead to the development of resistant microbial strains. The antimicrobial properties of Curcuma longa could potentially inhibit the growth of foodborne pathogens and spoilage organisms, extending the shelf life of food products without introducing harmful synthetic compounds [1,2,[8][9][10]. Curcuma longa could also play a significant role in agriculture.…”

“…It has been extensively used in traditional medicine for centuries, owing to its wide array of medicinal properties. The rhizome of the plant, recognized by its bright yellow colour, serves not only as a culinary spice, but also as a therapeutic agent in various traditional medicine systems [1,2]. In recent years, the scientific community has shown growing interest in the potential health benefits of Curcuma longa.…”