Swiss ADME Prediction of Phytoconstituents Present in Tecomastans

Abstract

Introduction:Tecoma stans, an aesthetically captivating evergreen plant belonging to the Bignoniaceae family, has a rich traditional application in treating various health issues. These include hyperglycemia, gastrointestinal and urinary tract disorders, jaundice, toothaches, headaches, colds, skin infections, and remedies for incidents involving scorpion, snake, and rat bites.

Objectives: The present study aimed to assess the bioavailability potential, focusing on absorption, distribution, metabolism, and excretion (ADME) of phytoconstituents present in T. Stans plant parts

Methods: In this in silico investigation, we focused on pharmacokinetics, bioavailability, drug-likeness, and medicinal chemistry friendliness predictions using the SwissADME online tool. The goal was to identify a lead phytoconstituents suitable as a potential drug candidate..

Results:A total of 26 potential compounds from Tecoma stans were screened for ADME properties, and the results were subsequently analyzed. Out of these, only six molecules showed good brain penetration, including Actinidine, Boschniakine, N-Normethylskytanthine, Tecostanine, Tecomine, and 4a-Hydroxyskytanthine. Additionally, fourteen exhibited good gastrointestinal absorption, such as Tryptamine, Chrysoeriol, Luteolin, Indole, 3-Methylindole, Tecomine, Tecostanine, Boschniakine, 5-deoxystansioside, Anthranilic acid, 4a-Hydroxyskytanthine, Actinidine, Noractinidine, and N-Normethylskytanthin. Most of these compounds were found to be non-substrates for both P-gp (P-glycoprotein) and CYP (Cytochrome P-450 isoenzymes).

Conclusions: The pharmacokinetic analysis highlighted diverse absorption rates and blood-brain permeability among the studied Phytocompounds, influencing their therapeutic potential. Predictions of skin permeation, P-glycoprotein substrate activity, and inhibitory effects on cytochrome P450 enzymes provided insights into compound interactions and metabolic profiles, guiding assessments of drug suitability for development.