Pharmacological basis of bergapten in gastrointestinal diseases focusing on H⁺/K⁺ ATPase and voltage-gated calcium channel inhibition: A toxicological evaluation on vital organs.

ABSTRACT: Aim and objectives: This study aimed to establish a pharmacological basis for evaluating the effects of bergapten (5-methoxypsoralen) in gastrointestinal diseases and assessment of its toxicological profile. Methods: The pharmacokinetic profile was evaluated using the SwissADME tool. AUTODOCK and PyRx were used for evaluating the binding affinities. The obtained results were further investigated for a post-dock analysis using Discovery Studio Visualizer 2016. The Desmond software package was used to conduct molecular dynamic simulations of best bound poses. Bergapten was further investigated for antidiarrheal, anti-secretory, charcoal meal transit time, anti-ulcer, anti-H. pylori activity. Results: Bergapten at a dose of 50, 100, and 200 mg/kg was proved effecti

SUBMITTER: Aslam H 

PROVIDER: S-EPMC9709249 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature