Simultaneous doxorubicin encapsulation and in-situ microfluidic micellization of bio-targeted polymeric nanohybrids using dichalcogenide monolayers: A molecular in-silico study

Abstract The rate of Riboflavin (RF) consumption in cancerous cells is interestingly high and this might imply the use RF ligand nanocarriers order to target anticancer drugs into cancer cells. This study aimed develop a hybrid drug carrier Doxorubicin (DOX) loaded on targeted micelles composed hydrophobic polylactic-glycolic acid (PLGA) hydrophilic polyethylene glycol (PEG). In regard, simultaneous encapsulation DOX in-situ micellization as well self-assembly PLGA-PEG-RF molecules were investigated. Moreover, effects microfluidic environment transition metal dichalcogenide (TMD) nanolayers properties (e.g., stability, size, interaction energies) simulated for first time. To purpose, simulations performed using two non-microfluidic methods novel one. molecular revealed that all selected TMDs, especially MoSe2, had great impact stability size nanocarriers. MoSe2 significantly enhanced loading capacity RF-targeted reduced Likewise, results various analyses demonstrated method most effective way synthesize with higher smaller particle size. Hence, monolayer, micelle containing RF, believed be best approach improve quality micelles. present work sheds new light TMDs synthesis smart carriers treatment.