Discovering the Mode of Action of Mahakashaya Mentioned in Charaka Samhita Using Analytical Methods and In-Silico-Technology: A Proposal: A Proposal

Jayanti Sahoo; Sangita

doi:10.64280/JAA.2025.V1I1011

Authors

Jayanti Sahoo Assistant Professor, Department of Kriya Sharir, R.K. Institute Of Ayurvedic Medical Sciences, Utter Pradesh, India 243503 Author
Sangita Assistant Professor, Department of Rasa Shastra and Bhaisjya Kalpana, Gangasheel Ayurvedic Medical College and Hospital, Utter Pradesh, India 243123 Author

DOI:

https://doi.org/10.64280/JAA.2025.V1I1011

Keywords:

Mahakashaya, in-silico technology, molecular docking, network pharmacology

Abstract

Background: The Charaka Samhita, a cornerstone of Ayurvedic medicine, describes Mahakashayas (great categories of herbal formulations) with well-documented therapeutic applications. However, the molecular mechanisms underlying their efficacy remain largely unexplored in contemporary scientific terms. Employing analytical methods and in-silico technology offers an innovative approach to bridge this knowledge gap.

Objectives: This proposal outlines a multidisciplinary strategy to investigate the mode of action of selected Mahakashayas using advanced analytical techniques and computational tools. The aim is to identify their bioactive compounds, predict molecular targets, and establish a scientific basis for their therapeutic claims.

Proposed Methods: A comprehensive review of Charaka Samhita to shortlist Mahakashayas based on therapeutic relevance and feasibility for experimental investigation. Phytochemical Profiling (Employ chromatographic and spectroscopic techniques (e.g., HPLC, GC-MS, LC-MS/MS) to identify bioactive compounds in selected Mahakashayas). In-Silico Analysis: Utilize molecular docking, virtual screening, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) predictions to evaluate compound interactions with potential biological targets and use network pharmacology to explore the multi-target and multi-pathway effects of the compounds. Validation Studies: Design in vitro assays (e.g., enzymatic and cell-based studies) to validate predicted molecular interactions and their biological effects. Correlate in silico findings with phytochemical and experimental data to develop a mechanistic understanding of Mahakashayas.

Expected Outcomes: Identify key bioactive compounds in Mahakashayas and their molecular targets. Provide evidence for their mechanisms of action in terms of modern pharmacology. Demonstrate the utility of combining traditional knowledge with contemporary scientific tools.

Significance: The study aims to establish a scientific foundation for the therapeutic efficacy of Mahakashayas, thereby facilitating their integration into evidence-based medicine. It also aims to highlight the potential of Ayurveda in drug discovery and holistic healthcare.