Title

Molecular docking analysis of phytoconstituents from Nilavaagai Chooranam with histamine H1 receptor

Authors

Vinu Bharathi Balasubramaniam¹*, Vinodini Ramamoorthy¹, Saraswathi Balasubramanian², Siva Annamalai³ & Deepa Ravichandran⁴

Affiliation

¹Department of Clinical Research, Siddha Regional Research Institute, Central Council Research in Siddha, Ministry of Ayush, Government of India, Kuyavarpalayam, Puducherry, India; ²Department of Clinical Research, Central Council Research in Siddha, Ministry of Ayush, Government of India, Tambaram Sanatorium , Tamil Nadu, Chennai, India^{; 3}Assisstant Medical Officer (Siddha), Government Hospital, (Under directorate of Indian medicine and Homeopathy), Kilvelur, Nagapattinam, Tamil Nadu, India; ⁴Siddha physician, Om Muruga Siddha clinic, Thanjavur, Tamil Nadu, India; *Corresponding author

Email

Vinu Bharathi Balasubramaniam - E-mail: vinujuny21@gmail.com
Vinodini Ramamoorthy - E-mail: vinodini02@gmail.com
Saraswathi Balasubramanian - E-mail: saraswathi27vinoth@gmail.com
Siva Annamalai - E-mail: drsivasiddha@yahoo.com
Deepa Ravichandran - E-mail: dr.deeparavi04@gmail.com

Article Type

Research Article

Date

Received October 1, 2025; Revised October 31, 2025; Accepted October 31, 2025, Published October 31, 2025

Abstract

Nilavaagai Chooranam, a polyherbal formulation in Siddha medicine, is traditionally used for treating respiratory and allergic conditions. Histamine H1 receptors are central to allergic reactions and modulating their activity can help manage conditions like allergic rhinitis and asthma. The objective of this study is to investigate the potential of bioactive compounds in Nilavaagai Chooranam to modulate histamine-mediated allergic responses by targeting the histamine H1 receptor. Molecular docking analysis was conducted to evaluate the binding affinities of key phytochemicals Kaempferol, Gingerenone-A, Piperic acid, Embelin, Carvone, and β-pinene against the H1 receptor (PDB ID: 3RZE). Cetirizine, a well-known H1 antagonist, was used as a reference ligand. Significant interactions were observed between the phytochemicals and the H1 receptor. Gingerenone-A and Embelin exhibited the highest binding affinities, with interactions involving key residues like Trp428, Tyr431, and Phe432. These results were comparable to those of Cetirizine. Data shows that Nilavaagai chooranam contains compounds with anti-allergic and anti-inflammatory potential, supporting its traditional use in treating histamine-mediated conditions. Further in vitro and in vivo studies are needed to validate these in silico results and explore the formulation's potential as a natural alternative to synthetic antihistamines.

Keywords

Nilavaagai chooranam, Histamine H1 receptor, Cetirizine, In silico analysis, Molecular Docking study, Siddha.

Citation

Balasubramaniam et al. Bioinformation 21(10): 3511-3517 (2025)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.