Ignoring the modeling approaches: Towards the shadowy paths in nanomedicine

Limited efficiency of the conventional therapeutic options against a variety of diseases has provoked nanotech-based research efforts to develop advanced materials and devices for targeted delivery of theranostics which may provide imminent breakthroughs in medicine. However, nonspecific distribution or inappropriate tissue penetration of nanoparticles, complexity of drug delivery process, insufficient drug accumulation, loss of targeting ability, occurrence of the unexpected phenomena, safety concerns, and data reliability have remained challenging. Indeed, translation of nanotechnology-based products to the clinical applications necessitates the rigorous consideration of the challenging issues associated with currently available nanoformulations. Computational models and simulations which enable to design the nanoparticles with optimized properties along with method validation, provide fundamental knowledge about the complex interaction of nanomaterials with environmental or biological systems, and predict the pharmacological profile of nanomaterials, should constitute a key part of the innovative drug delivery research leading to the maximal efficacy and minimal safety concerns. This review highlights the importance of computational modeling in the development of efficient nanotherapeutic delivery systems.