In vivo self-assembled nanomedicine

•The molecular designing, self-assembling behavior and its influence on cascade transportation process were highlighted.•“Self-assembly assisted targeting” contributes to enhance the location-selectivity of nanomedicine towards desired site.•The molecular state difference result in deeper penetration at pathological site and quick clearance speed on other organs.•Prospective on molecular design, dynamic self-assembly and relationship between structure and biological effects was emphasized.