In the present study, a series of chromeno[2,3-c]pyrrol-9(2H)-one were studied, and these derivatives exhibit potent inhibitory potency, remarkable selectivity and excellent pharmacokinetic properties, which may serve as a potential candidate for the treatment of PAH.14,15 An integrated computation approach is carried out to characterize the microscopic interaction and binding mechanism between PDE5 and these compounds. Here, PDE5A is linked to pulmonary arterial hypertension.