This invention discloses a
nicotine-capturing
smoking cessation drug composition based on
molecular configuration matching, belonging to the field of
smoking cessation drug technology. The
drug consists of three organic functional molecules screened by molecular structure (each molecule has a specific configuration, see Figure 2) that self-assemble in a specific
molar ratio under human physiological conditions to form a three-dimensional molecular cage. This molecular cage, through precise
adaptation of its
internal cavity configuration to the chair conformation of
nicotine molecules (the configuration after binding is shown in Figure 3), specifically recognizes and encapsulates
nicotine molecules, preventing them from crossing the blood-brain barrier and entering the brain by increasing molecular weight and enhancing polarity. This blocks the
nicotine addiction reward pathway at its source, thereby eliminating
nicotine addiction and physiological dependence. The drug of this invention only acts in the
peripheral circulation, does not enter the
central nervous system, does not act on brain nerve receptors, has no psychotropic side effects, and is non-addictive. The molecular cage-nicotine complex can be normally metabolized and completely excreted from the body. This invention, with precise
molecular configuration matching as its core innovation, has a novel mechanism, extremely high safety, and gentle withdrawal, effectively reducing relapse rates. It is suitable for various nicotine-dependent populations and has extremely high clinical translational and patent protection value.