Insights into the Cardiotoxic Effects of Veratrum Lobelianum Alkaloids: Pilot Study.

ABSTRACT: Jervine, protoveratrine A (proA), and protoveratrine B (proB) are Veratrum alkaloids that are presented in some remedies obtained from Veratrum lobelianum, such as Veratrum aqua. This paper reports on a single-center pilot cardiotoxic mechanism study of jervine, proA, and proB in case series. The molecular aspects were studied via molecular dynamic simulation, molecular docking with cardiac sodium channel Na_V1.5, and machine learning-based structure-activity relationship modeling. HPLC-MS/MS method in combination with clinical events were used to analyze Veratrum alkaloid cardiotoxicity in patients. Jervine demonstrates the highest docking score (-10.8 kcal/mol), logP value (4.188), and pK_a value (9.64) compared with proA and proB. A

SUBMITTER: Taldaev A 

PROVIDER: S-EPMC9315652 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature