In silico Computational Analysis of Siddha Formulation Veppampoo mathirai in Inhibition of Angiotensin-Converting Enzyme Receptor Target against Hypertension

Abstract

Introduction: Hypertension (HTN) is a leading non-communicable disease in the world which affects most
people. Even though, modern medicines are available widely, people show their interest to take traditional
system of medicines like Siddha to overcome some untoward side effects. In this regard, Veppampoomathirai, a
polyherbal siddha formulation prescribed for HTN was studied by in silico computational analysis for its potential
action against HTN in inhibition of Angiotensin-converting enzyme receptor target compared with standard
captopril drug of modern medicine. Materials and Methods: The phytochemicals present in the formulation
were identified, selected, and retrieved through literature survey. Molecular docking analysis was performed
by AutoDock tool version 4. The lead molecules were identified by their binding affinity toward target enzyme
angiotensin-converting enzyme (ACE) and compared with standard captopril. Results: The phytoprinciples such
as Ascorbic acid, Elemene, Cinnamaldehyde, Gallic Acid, Nimbiol, Piperic acid, Piperine, Eugenol, Nimbolide,
Rutin, and Solasodine had 7–10 interactions with more interaction surface area. Nimbiol and Gallic acid had
ten interactions, whereas Piperic acid, Peperine, and Nimbolide had nine interactions which are higher than the
standard Captopril with the active amino acids at the target ACE enzyme. Conclusion: The study concludes
that the formulation Veppampoomathirai has potential binding action against ACE target enzyme that helps in
reducing blood pressure.