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. 2022 Sep 12;29(5):470–480. doi: 10.1007/s11655-022-3584-x

Ayurveda and in silico Approach: A Challenging Proficient Confluence for Better Development of Effective Traditional Medicine Spotlighting Network Pharmacology

Rashmi Sahu 1, Prashant Kumar Gupta 1,2, Amit Mishra 3, Awanish Kumar 4,✉
PMCID: PMC9465656  PMID: 36094769

Abstract

Coalescence of traditional medicine Ayurveda and in silico technology is a rigor for supplementary development of future-ready effective traditional medicine. Ayurveda is a popular traditional medicine in South Asia, emanating worldwide for the treatment of metabolic disorders and chronic illness. Techniques of in silico biology are not much explored for the investigation of a variety of bioactive phytochemicals of Ayurvedic herbs. Drug repurposing, reverse pharmacology, and polypharmacology in Ayurveda are areas in silico explorations that are needed to understand the rich repertoire of herbs, minerals, herbo-minerals, and assorted Ayurvedic formulations. This review emphasizes exploring the concept of Ayurveda with in silico approaches and the need for Ayurinformatics studies. It also provides an overview of in silico studies done on phytoconstituents of some important Ayurvedic plants, the utility of in silico studies in Ayurvedic phytoconstituents/formulations, limitations/challenges, and prospects of in silico studies in Ayurveda. This article discusses the convergence of in silico work, especially in the least explored field of Ayurveda. The focused coalesce of these two domains could present a predictive combinatorial platform to enhance translational research magnitude. In nutshell, it could provide new insight into an Ayurvedic drug discovery involving an in silico approach that could not only alleviate the process of traditional medicine research but also enhance its effectiveness in addressing health care.

Electronic Supplementary Material

Supplementary material (Appendixes 1–6) is available in the online version of this article at 10.1007/s11655-022-3584-x.

Keywords: Ayurveda, in silico approach, confluence, challenge, effective therapeutics

Electronic supplementary material

11655_2022_3584_MOESM1_ESM.docx (1.6MB, docx)

Supplementary material, approximately 1.64 MB.

Acknowledgment

Author PKG acknowledges Indian National Science Academy for granting visiting scientist fellowship in 2019 for learning in silico studies in Ayurveda. We are thankful to AIIA, New Delhi for laboratory support. We also acknowledge Dr. Swapnil Borse, Scientist, CCIH, SSPU, Pune (MH), India for review and comments. AM is thankful to IIT Jodhpur, India and AK is thankful to the National Institute of Technology Raipur (CG), India.

Author Contributions

RS did knowledge search, manuscript writing, table writing; PKG conceived the manuscript idea, did manuscript writing, manuscript structuring, formatting, editing, and drawing figures; AM performed draft writing and manuscript structuring; AK did manuscript writing, critical analysis, formatting, drawn figures, and correspondence.

Conflict of Interest

Authors declare that they have no conflict of interest.

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