Role of Quantum Computing Simulations in Targeted Drug Delivery of Liposomes
Abstract
Nanotechnology-based drug delivery systems are promising domains of innovation as the healthcare system is continuously getting improved by employing targeted delivery of drugs which is chiefly designed with the integration of nanotechnology and computer simulations. Liposomes-based drug delivery system is used for delivering a variety of drugs (including hydrophilic, hydrophobic, and amphiphilic) in one of the highly impacted systems which can be further scaled up by employing quantum computing. In liposomes, the aqueous core is encircled with one or more concentric layers of phospholipid and helps in penetrating the cell membranes. The phospholipids, because of their distinct physio-chemical properties, significantly affect the stability of liposomes. The selection of the suitable phospholipid and its inclusion, at optimized concentration, in designing the liposomal system determines the efficacy (in terms of membrane penetration) as well as stability of liposomes. Computer simulation-based liposomal models can help in resolving the issues about the transport of drugs across the plasma membrane, ion channels, generation of vesicles, fusion with membrane, and mechanisms governing the activity of cell-membrane–associated proteins. Several computational simulation models, such as the molecular dynamics simulation model, dissipative particle dynamics model, coarse-grained (CG) MARTINI, and implicit solvent model, can be used for simulating liposome systems and helping…
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