= +1.41 kcal/mol) on the VX-AChE complex. Steered molecular dynamics further showed P15 facilitates VX displacement, reducing the required rupture force by 53.3% (from 600 to 280 kJ/mol/nm). Supported by in vitro assays confirming P15's excellent biosafety (>100% cell viability), these computational findings indicate P15 integrates direct toxin scavenging with precise allosteric enzyme protection, serving as a promising dual-function countermeasure.
Lei et al. (Wed,) studied this question.