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.