A molecular dynamics study to investigate the cavity control of Prefoldin based bio nano actuator is presented in this paper. Prefoldin is a molecular chaperone with a jellyfish-like structure containing six long coiled-coil tentacles and a large central cavity. We took the temperature and pH of the medium into account, and analyzed the conformational flexibility of the Prefoldin nano actuator in details. Results show that the prefoldin is a very flexible protein, the conformational state of which appears to depend on the temperature and pH values of the medium. In fact, combining these two control parameters, a suitable environment is provided to capture nano cargoes with specific dimensions. These properties of Prefoldin actuator can be used for drug delivery in the body.

A molecular dynamics study for characterization of Prefoldin based bio nano actuator is presented in this paper. Prefoldin is a hexameric molecular chaperone complex in the eukaryotic cytosol and archaea with a jellyfish-like structure containing six long coiled-coil tentacles and a large central cavity. Prefoldin captures protein folding intermediates or unfolded polypeptides and transfer them to group II chaperonins for facilitated folding. Each coiled coil was highly flexible, enabling it to widen its central cavity and capture various nonnative proteins. In this paper, we are studying the development of Prefoldin as nano actuator in bio nano robotic systems. Design hypothesis and preliminary computational results are also presented. In this paper, we are focusing on the properties of Prefoldin to change its conformation depending on the temperature of environment. Our results show how archaeal Prefoldin may be well adapted to interacting with many different substrates.

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In recent years, the employment of nano-robots in intelligent transferring of nano-cargos and medical treatments has been in the spotlight of researchers. The first step is to present appropriate environmental nano-parts with the potential ability to transform into nano-robots. prefoldin, which is a molecular chaperone, is introduced as a new protein nano-actuator being capable of capturing nano-cargos with different charges and various sizes, which can also be used in medical applications. By the aid of mutation, in this work authors have designed a new prefoldin nano-actuator in order to capture hydrophobic nanocargo, meaning that the hydrophobic amino acids in the nano-actuator have substituted hydrophilic amino acids. Then, the interaction between the mutated nano-actuator and the desired cargo was investigated through the all-atom molecular dynamics simulations in an explicit solvent environment and at 310 K temperature. The designed nano-actuator managed to attach to the cargo with four tentacles out of six possible tentacles by leveraging the available attraction between hydrophobic amino acids. Given the results obtained from this research, it can be percieved that the designed prefoldin nano-actuator can serve as a potential factor in transferring the hydrophobic cargos and inhibiting the pathogenic factors.