Ayurveda describes about numerous formulations with multidimensional therapeutic action across various systems of human body. There is a growing relevance of molecular docking when it comes to validating and analysing Ayurvedic drugs through modern scientific methods. Due to complexity of the drugs, mechanisms underlying the broad spectrum effects are difficult to be explored using conventional biomedical parameters. Currently, reverse pharmacology is commonly adopted to scientifically evaluate the action of Ayurvedic formulations. Molecular docking is one such in-silico drug discovery technique which helps in identifying and predicting therapeutic potential of the drug/ formulation. The present review analysed twelve recent scientific research conducted and published in indexed journals related to molecular docking in Ayurveda. An attempt is made to elaborate the application of molecular docking ranging from studies on hormonal modulation, diabetic retinopathy, COVID 19, Nipah Virus, Alzheimer’s disease, atherosclerosis, metabolic disorders etc. The review indicates that molecular docking can aid in identifying bioactive constituents, thus supporting innovations in formulation developments.
1*Dr. Aparna Nandakumar, 2Prof. Dr. Upendrakumar Udesinh Zala, 3Dr. Vidyanand Mohan (Mon,) studied this question.