In silico exploration of the chemical space of natural compounds from Ayurveda traditional medicine

Natural products and their derivatives have historically been invaluable as a source of therapeutic agents and our natural environment remains a non-exhausted creative pool for the discovery and synthesis of new drug compounds. Natural products can be viewed as a population of privileged structures selected by evolutionary pressures to interact with a wide variety of proteins and other biological targets for specific purposes. On basis of these concepts, in the proposed project the natural compounds from plants used in ayurveda, the traditional Indian medicine will be mapped to the chemical space. Advanced bioinformatics tools will be used to propose potential new ligands of natural origin for the drug development.