Exploring (Alkyl-ω-ol)triphenyltin(IV) Compounds as Renin Inhibitors: Numerical modelling of diffusion process within finite element liver model

Abstract

Renin is a key regulator in the renin-angiotensin-aldosterone system (RAAS) and an established therapeutic target for hypertension. Although direct renin inhibitors such as Aliskiren are clinically used, new candidates with improved efficacy are still required. This work investigates the transport dynamics of organotin(IV) compounds (Ph₃SnL1–Ph₃SnL5) within a three-dimensional finite element liver model incorporating an embedded vascular network. Diffusion coefficients, estimated via the Stokes–Einstein relation, ranged from 4.31 × 10⁻4 mm² s⁻1 (Ph₃SnL1) to 3.80 × 10⁻4 mm² s⁻1 (Ph₃SnL5), compared to 3.78 × 10⁻4 mm² s⁻1 for Aliskiren. Simulations showed rapid compound penetration from capillaries to tissue, with diffusion kinetics strongly dependent on individual coefficients. Among all, Ph₃SnL1 exhibited the fastest and most homogeneous distribution, while Aliskiren displayed slower transport. These findings highlight the capability of advanced computational modeling to evaluate candidate renin inhibitors and suggest organotin(IV) compounds as promising leads for antihypertensive drug development.