P-34 The Use of Cheminformatics to Determine Potential Drug Interactions between Popular Barbadian Botanical Medicines and Antihypertensive Drugs
Author(s):
A.Evadgian , D.Cohall , A.Bharatha
Type Of Study:
- Analytical Study
- Quantitative
Year of Presentation:
2022
Objective: Bajans have a rich traditional use of medicinal
plants, especially among the older population. This study
aims to identify possible drug-herb interactions between
popular herbal remedies used to manage elevated blood
pressure and conventional anti-hypertensive drugs.
Design and Methods: In this study, in silico molecular docking experiments with AutoDock Vina (Scripps Research Institute, La Jolla, CA), apart of Yasara Structure software, version 20.12.24 were used to screen 30 potential phytochemicals from 11 popular plants in Barbados that are used for high blood pressure and could influence the pharmacology of the most prescribed antihypertensive drugs in Barbados.
Results: Thiazide and Thiazide-like Diuretics, Calcium Channel Blockers, ACE Inhibitors, and ARBs are the most prescribed antihypertensive drugs. Twenty-seven phytochemicals show dissociation constants (Kd) <10 µM with pharmacologic drug targets. Catharanthus roseus (L) Don, Phyllanthus niruri L, Petroselinum crispum (Mill.) Fuss and Lantana involucrata L contain various compounds that show high binding affinities in all experiments. Possible interactions could affect renal excretion (Thiazide-like diuretics), CYP metabolism (CCB), absorption (ACE-I), hepatic CYP and Phase II metabolism (ARBs). Oleanolic acid shows high binding affinities to almost all protein targets. This study also reveals potential candidates for the drug targets: Cav 3.3 (psychiatric diseases), PEPT1/2 (influencing bioavailability) and BK-channel (epilepsy).
Conclusion: There should be greater awareness of potential drug-herb interactions with Catharanthus roseus (L) Don, Phyllanthus niruri (L), Petroselinum crispum (Mill) Fuss and Lantana involucrata (L) with antihypertensive medi